# periodic boundary conditions along all three dimensions
boundary p p p

# Set neighbor skin
variable neigh_skin equal 2.0*${_u_distance}
variable neigh_skin equal 2.0*1
neighbor ${neigh_skin} bin
neighbor 2 bin

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.8553245961666107*${_u_distance}
variable latticeconst_converted equal 2.8553245961666107*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.85532459616661
Lattice spacing in x,y,z = 2.8553246 2.8553246 2.8553246
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.553246 28.553246 28.553246)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.553246 28.553246 28.553246)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 55.845*${_u_mass}
variable mass_converted equal 55.845*1

kim_interactions Fe

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

kim interactions Fe
#=== BEGIN kim interactions ==================================
variable kim_update equal 0
variable kim_periodic equal 1
pair_style hybrid/overlay eam/alloy eam/fs
pair_coeff * * eam/alloy /tmp/kim-shared-library-parameter-file-directory-XXXXXXH4qIVh/FeCr_d.eam.alloy Fe
pair_coeff * * eam/fs /tmp/kim-shared-library-parameter-file-directory-XXXXXXH4qIVh/FeCr_s.eam.fs Fe
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 55.845

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23279.1146518723    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23279.1146518723/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23279.1146518723/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23279.1146518723/(1*1*${_u_distance})
variable      V0_metal equal 23279.1146518723/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23279.1146518723*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23279.1146518723 Angstroms^3

# set the time step to 0.001 picoseconds
variable timestep_converted equal 0.001*${_u_time}
variable timestep_converted equal 0.001*1
timestep ${timestep_converted}
timestep 0.001

variable temp_converted equal 313.15*${_u_temperature}
variable temp_converted equal 313.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 313.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 1

# compute the time averages of pressure, temperature, and volume, respectively
# ignore the first 5000 timesteps
variable      etotal_metal equal etotal/${_u_energy}
variable      etotal_metal equal etotal/1
variable      pe_metal equal pe/${_u_energy}
variable      pe_metal equal pe/1
variable      T_metal equal temp/${_u_temperature}
variable      T_metal equal temp/1
variable      V_metal equal vol/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V_metal equal vol/(1*${_u_distance}*${_u_distance})
variable      V_metal equal vol/(1*1*${_u_distance})
variable      V_metal equal vol/(1*1*1)
variable      P_metal equal press/${_u_pressure}
variable      P_metal equal press/1
fix           avgmyTemp  all ave/time 5 20 100 v_T_metal  ave running start 5000
fix           avgmyPress all ave/time 5 20 100 v_P_metal ave running start 5000
fix           avgmyVol   all ave/time 5 20 100 v_V_metal   ave running start 5000

# extract fix quantities into variables so they can be used in if-else logic later.
variable      T equal f_avgmyTemp
variable      P equal f_avgmyPress
variable      V equal f_avgmyVol

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "313.15 - 0.2"
variable      T_up  equal  "313.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

# print to logfile every 1000 timesteps
thermo_style  custom step etotal v_etotal_metal pe v_pe_metal               temp v_T_metal vol v_V_metal press v_P_metal
thermo        1000

# Run a simulation for at most 2000*1000 timesteps. At each 1000th time step, check
# whether the temperature and pressure have converged. If yes, break.
label top
variable a loop 2000
run 1000

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:

- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6

@Article{tadmor:elliott:2011,
 author = {E. B. Tadmor and R. S. Elliott and J. P. Sethna and R. E. Miller and C. A. Becker},
 title = {The potential of atomistic simulations and the {K}nowledgebase of {I}nteratomic {M}odels},
 journal = {{JOM}},
 year =    2011,
 volume =  63,
 number =  17,
 pages =   {17},
 doi =     {10.1007/s11837-011-0102-6}
}

- OpenKIM potential: https://openkim.org/cite/SM_237089298463_001#item-citation

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.3
  ghost atom cutoff = 7.3
  binsize = 3.65, bins = 8 8 8
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair eam/alloy, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
  (2) pair eam/fs, perpetual, copy from (1)
      attributes: half, newton on
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -8163.9551   -8163.9551   -8244.8702   -8244.8702       313.15       313.15    23279.115    23279.115    3712.6797    3712.6797 
    1000   -8077.9134   -8077.9134   -8153.1836   -8153.1836     291.3035     291.3035    23361.498    23361.498    908.90798    908.90798 
Loop time of 19.6761 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.391 ns/day, 5.466 hours/ns, 50.823 timesteps/s
91.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.45      | 19.45      | 19.45      |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044403   | 0.044403   | 0.044403   |   0.0 |  0.23
Output  | 0.00019806 | 0.00019806 | 0.00019806 |   0.0 |  0.00
Modify  | 0.15531    | 0.15531    | 0.15531    |   0.0 |  0.79
Other   |            | 0.02659    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136000.0 ave      136000 max      136000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136000
Ave neighs/atom = 68.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8077.9134   -8077.9134   -8153.1836   -8153.1836     291.3035     291.3035    23361.498    23361.498    908.90798    908.90798 
    2000   -8078.0655   -8078.0655   -8158.5651   -8158.5651    311.54152    311.54152    23342.075    23342.075    2212.7573    2212.7573 
Loop time of 19.2668 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.484 ns/day, 5.352 hours/ns, 51.903 timesteps/s
96.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.014     | 19.014     | 19.014     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045758   | 0.045758   | 0.045758   |   0.0 |  0.24
Output  | 0.00011997 | 0.00011997 | 0.00011997 |   0.0 |  0.00
Modify  | 0.16527    | 0.16527    | 0.16527    |   0.0 |  0.86
Other   |            | 0.04156    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5425.00 ave        5425 max        5425 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139451.0 ave      139451 max      139451 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139451
Ave neighs/atom = 69.725500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -8078.0655   -8078.0655   -8158.5651   -8158.5651    311.54152    311.54152    23342.075    23342.075    2212.7573    2212.7573 
    3000   -8078.6504   -8078.6504   -8155.7099   -8155.7099    298.22819    298.22819    23385.329    23385.329   -726.08263   -726.08263 
Loop time of 18.1431 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.762 ns/day, 5.040 hours/ns, 55.117 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.93      | 17.93      | 17.93      |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042393   | 0.042393   | 0.042393   |   0.0 |  0.23
Output  | 0.00011906 | 0.00011906 | 0.00011906 |   0.0 |  0.00
Modify  | 0.14686    | 0.14686    | 0.14686    |   0.0 |  0.81
Other   |            | 0.02357    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139035.0 ave      139035 max      139035 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139035
Ave neighs/atom = 69.517500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -8078.6504   -8078.6504   -8155.7099   -8155.7099    298.22819    298.22819    23385.329    23385.329   -726.08263   -726.08263 
    4000   -8077.4321   -8077.4321   -8156.9848   -8156.9848     307.8772     307.8772    23387.366    23387.366   -357.97206   -357.97206 
Loop time of 18.3703 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.703 ns/day, 5.103 hours/ns, 54.436 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.151     | 18.151     | 18.151     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04368    | 0.04368    | 0.04368    |   0.0 |  0.24
Output  | 0.00020983 | 0.00020983 | 0.00020983 |   0.0 |  0.00
Modify  | 0.1512     | 0.1512     | 0.1512     |   0.0 |  0.82
Other   |            | 0.02413    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138961.0 ave      138961 max      138961 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138961
Ave neighs/atom = 69.480500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -8077.4321   -8077.4321   -8156.9848   -8156.9848     307.8772     307.8772    23387.366    23387.366   -357.97206   -357.97206 
    5000   -8079.0946   -8079.0946   -8162.1899   -8162.1899     321.5875     321.5875    23332.537    23332.537    2795.0392    2795.0392 
Loop time of 18.3056 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.720 ns/day, 5.085 hours/ns, 54.628 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.087     | 18.087     | 18.087     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043221   | 0.043221   | 0.043221   |   0.0 |  0.24
Output  | 8.47e-05   | 8.47e-05   | 8.47e-05   |   0.0 |  0.00
Modify  | 0.1505     | 0.1505     | 0.1505     |   0.0 |  0.82
Other   |            | 0.02438    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138831.0 ave      138831 max      138831 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138831
Ave neighs/atom = 69.415500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.470035886146, Press = -840.513897568736
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -8079.0946   -8079.0946   -8162.1899   -8162.1899     321.5875     321.5875    23332.537    23332.537    2795.0392    2795.0392 
    6000   -8076.9112   -8076.9112   -8156.3899   -8156.3899    307.59056    307.59056    23371.495    23371.495    60.654241    60.654241 
Loop time of 18.5032 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.669 ns/day, 5.140 hours/ns, 54.045 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.276     | 18.276     | 18.276     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044606   | 0.044606   | 0.044606   |   0.0 |  0.24
Output  | 9.0902e-05 | 9.0902e-05 | 9.0902e-05 |   0.0 |  0.00
Modify  | 0.15843    | 0.15843    | 0.15843    |   0.0 |  0.86
Other   |            | 0.02404    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138852.0 ave      138852 max      138852 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138852
Ave neighs/atom = 69.426000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.223387126309, Press = -124.029428727661
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -8076.9112   -8076.9112   -8156.3899   -8156.3899    307.59056    307.59056    23371.495    23371.495    60.654241    60.654241 
    7000   -8085.1128   -8085.1128   -8164.0522   -8164.0522    305.50354    305.50354    23379.436    23379.436   -895.55709   -895.55709 
Loop time of 18.4437 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.685 ns/day, 5.123 hours/ns, 54.219 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.219     | 18.219     | 18.219     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044258   | 0.044258   | 0.044258   |   0.0 |  0.24
Output  | 8.9287e-05 | 8.9287e-05 | 8.9287e-05 |   0.0 |  0.00
Modify  | 0.15738    | 0.15738    | 0.15738    |   0.0 |  0.85
Other   |            | 0.02338    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5435.00 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139130.0 ave      139130 max      139130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139130
Ave neighs/atom = 69.565000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.390570101815, Press = -11.1031875613063
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -8085.1128   -8085.1128   -8164.0522   -8164.0522    305.50354    305.50354    23379.436    23379.436   -895.55709   -895.55709 
    8000    -8077.239    -8077.239   -8159.8457   -8159.8457    319.69656    319.69656    23350.448    23350.448    1163.3391    1163.3391 
Loop time of 18.4174 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.691 ns/day, 5.116 hours/ns, 54.296 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.194     | 18.194     | 18.194     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044051   | 0.044051   | 0.044051   |   0.0 |  0.24
Output  | 8.8487e-05 | 8.8487e-05 | 8.8487e-05 |   0.0 |  0.00
Modify  | 0.15583    | 0.15583    | 0.15583    |   0.0 |  0.85
Other   |            | 0.02336    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138534.0 ave      138534 max      138534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138534
Ave neighs/atom = 69.267000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.712635396239, Press = -29.420204767611
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000    -8077.239    -8077.239   -8159.8457   -8159.8457    319.69656    319.69656    23350.448    23350.448    1163.3391    1163.3391 
    9000   -8078.1891   -8078.1891   -8160.2514   -8160.2514    317.58924    317.58924    23405.161    23405.161   -2024.6313   -2024.6313 
Loop time of 18.4742 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.677 ns/day, 5.132 hours/ns, 54.130 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.249     | 18.249     | 18.249     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044402   | 0.044402   | 0.044402   |   0.0 |  0.24
Output  | 8.1092e-05 | 8.1092e-05 | 8.1092e-05 |   0.0 |  0.00
Modify  | 0.1575     | 0.1575     | 0.1575     |   0.0 |  0.85
Other   |            | 0.02339    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5464.00 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139173.0 ave      139173 max      139173 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139173
Ave neighs/atom = 69.586500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.888673209003, Press = -29.428851844963
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -8078.1891   -8078.1891   -8160.2514   -8160.2514    317.58924    317.58924    23405.161    23405.161   -2024.6313   -2024.6313 
   10000   -8078.5118   -8078.5118   -8159.4441   -8159.4441    313.21647    313.21647    23388.883    23388.883   -895.14223   -895.14223 
Loop time of 18.4329 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.687 ns/day, 5.120 hours/ns, 54.251 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.206     | 18.206     | 18.206     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04405    | 0.04405    | 0.04405    |   0.0 |  0.24
Output  | 8.4066e-05 | 8.4066e-05 | 8.4066e-05 |   0.0 |  0.00
Modify  | 0.15762    | 0.15762    | 0.15762    |   0.0 |  0.86
Other   |            | 0.0247     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138583.0 ave      138583 max      138583 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138583
Ave neighs/atom = 69.291500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.258248900264, Press = -4.02611027366879
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -8078.5118   -8078.5118   -8159.4441   -8159.4441    313.21647    313.21647    23388.883    23388.883   -895.14223   -895.14223 
   11000   -8078.8678   -8078.8678   -8159.1101   -8159.1101    310.54607    310.54607    23361.448    23361.448    893.82196    893.82196 
Loop time of 18.0841 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.778 ns/day, 5.023 hours/ns, 55.297 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.868     | 17.868     | 17.868     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042721   | 0.042721   | 0.042721   |   0.0 |  0.24
Output  | 6.2296e-05 | 6.2296e-05 | 6.2296e-05 |   0.0 |  0.00
Modify  | 0.1502     | 0.1502     | 0.1502     |   0.0 |  0.83
Other   |            | 0.02301    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138695.0 ave      138695 max      138695 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138695
Ave neighs/atom = 69.347500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.58087549245, Press = -13.4752002309537
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -8078.8678   -8078.8678   -8159.1101   -8159.1101    310.54607    310.54607    23361.448    23361.448    893.82196    893.82196 
   12000   -8075.6532   -8075.6532   -8158.5172   -8158.5172     320.6921     320.6921    23415.035    23415.035   -2440.2491   -2440.2491 
Loop time of 17.9757 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.806 ns/day, 4.993 hours/ns, 55.631 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.764     | 17.764     | 17.764     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041954   | 0.041954   | 0.041954   |   0.0 |  0.23
Output  | 8.8193e-05 | 8.8193e-05 | 8.8193e-05 |   0.0 |  0.00
Modify  | 0.14774    | 0.14774    | 0.14774    |   0.0 |  0.82
Other   |            | 0.02219    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139005.0 ave      139005 max      139005 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139005
Ave neighs/atom = 69.502500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.696056053261, Press = -19.1176585526286
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -8075.6532   -8075.6532   -8158.5172   -8158.5172     320.6921     320.6921    23415.035    23415.035   -2440.2491   -2440.2491 
   13000   -8079.1838   -8079.1838   -8160.3771   -8160.3771    314.22632    314.22632     23403.51     23403.51   -2166.2314   -2166.2314 
Loop time of 17.7665 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.863 ns/day, 4.935 hours/ns, 56.286 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.557     | 17.557     | 17.557     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041818   | 0.041818   | 0.041818   |   0.0 |  0.24
Output  | 5.7139e-05 | 5.7139e-05 | 5.7139e-05 |   0.0 |  0.00
Modify  | 0.14619    | 0.14619    | 0.14619    |   0.0 |  0.82
Other   |            | 0.02186    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138370.0 ave      138370 max      138370 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138370
Ave neighs/atom = 69.185000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.850096514145, Press = 4.17003027762598
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -8079.1838   -8079.1838   -8160.3771   -8160.3771    314.22632    314.22632     23403.51     23403.51   -2166.2314   -2166.2314 
   14000    -8077.849    -8077.849   -8159.3712   -8159.3712    315.49903    315.49903    23360.937    23360.937    1038.0417    1038.0417 
Loop time of 17.8113 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.851 ns/day, 4.948 hours/ns, 56.144 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.602     | 17.602     | 17.602     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041553   | 0.041553   | 0.041553   |   0.0 |  0.23
Output  | 5.6752e-05 | 5.6752e-05 | 5.6752e-05 |   0.0 |  0.00
Modify  | 0.14583    | 0.14583    | 0.14583    |   0.0 |  0.82
Other   |            | 0.02165    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138661.0 ave      138661 max      138661 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138661
Ave neighs/atom = 69.330500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.687560595455, Press = -5.90025906977842
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000    -8077.849    -8077.849   -8159.3712   -8159.3712    315.49903    315.49903    23360.937    23360.937    1038.0417    1038.0417 
   15000   -8078.8999   -8078.8999   -8159.7858   -8159.7858    313.03663    313.03663    23382.412    23382.412   -610.01188   -610.01188 
Loop time of 18.4138 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.692 ns/day, 5.115 hours/ns, 54.307 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.183     | 18.183     | 18.183     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045761   | 0.045761   | 0.045761   |   0.0 |  0.25
Output  | 8.2872e-05 | 8.2872e-05 | 8.2872e-05 |   0.0 |  0.00
Modify  | 0.15988    | 0.15988    | 0.15988    |   0.0 |  0.87
Other   |            | 0.02529    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138908.0 ave      138908 max      138908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138908
Ave neighs/atom = 69.454000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.449573707378, Press = -6.71365553687081
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -8078.8999   -8078.8999   -8159.7858   -8159.7858    313.03663    313.03663    23382.412    23382.412   -610.01188   -610.01188 
   16000   -8077.1129   -8077.1129   -8159.5097   -8159.5097    318.88384    318.88384    23379.904    23379.904   -118.67673   -118.67673 
Loop time of 17.8613 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.837 ns/day, 4.961 hours/ns, 55.987 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.649     | 17.649     | 17.649     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042197   | 0.042197   | 0.042197   |   0.0 |  0.24
Output  | 5.8832e-05 | 5.8832e-05 | 5.8832e-05 |   0.0 |  0.00
Modify  | 0.14782    | 0.14782    | 0.14782    |   0.0 |  0.83
Other   |            | 0.02208    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138761.0 ave      138761 max      138761 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138761
Ave neighs/atom = 69.380500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.568009728099, Press = -0.52048653603291
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -8077.1129   -8077.1129   -8159.5097   -8159.5097    318.88384    318.88384    23379.904    23379.904   -118.67673   -118.67673 
   17000    -8074.479    -8074.479   -8156.6693   -8156.6693    318.08506    318.08506    23337.469    23337.469    3066.7725    3066.7725 
Loop time of 17.7878 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.857 ns/day, 4.941 hours/ns, 56.218 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.579     | 17.579     | 17.579     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041595   | 0.041595   | 0.041595   |   0.0 |  0.23
Output  | 5.6787e-05 | 5.6787e-05 | 5.6787e-05 |   0.0 |  0.00
Modify  | 0.14587    | 0.14587    | 0.14587    |   0.0 |  0.82
Other   |            | 0.02156    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138779.0 ave      138779 max      138779 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138779
Ave neighs/atom = 69.389500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.552705761622, Press = -2.72900691431751
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000    -8074.479    -8074.479   -8156.6693   -8156.6693    318.08506    318.08506    23337.469    23337.469    3066.7725    3066.7725 
   18000   -8079.4675   -8079.4675   -8159.2654   -8159.2654    308.82608    308.82608    23391.016    23391.016   -1074.6644   -1074.6644 
Loop time of 17.8868 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.830 ns/day, 4.969 hours/ns, 55.907 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.676     | 17.676     | 17.676     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041751   | 0.041751   | 0.041751   |   0.0 |  0.23
Output  | 5.7571e-05 | 5.7571e-05 | 5.7571e-05 |   0.0 |  0.00
Modify  | 0.14709    | 0.14709    | 0.14709    |   0.0 |  0.82
Other   |            | 0.02181    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139024.0 ave      139024 max      139024 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139024
Ave neighs/atom = 69.512000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.729039643617, Press = -14.0553903374311
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -8079.4675   -8079.4675   -8159.2654   -8159.2654    308.82608    308.82608    23391.016    23391.016   -1074.6644   -1074.6644 
   19000   -8075.7145   -8075.7145   -8157.9898   -8157.9898    318.41406    318.41406     23393.66     23393.66   -967.17902   -967.17902 
Loop time of 17.8418 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.843 ns/day, 4.956 hours/ns, 56.048 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.633     | 17.633     | 17.633     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041561   | 0.041561   | 0.041561   |   0.0 |  0.23
Output  | 7.0548e-05 | 7.0548e-05 | 7.0548e-05 |   0.0 |  0.00
Modify  | 0.14554    | 0.14554    | 0.14554    |   0.0 |  0.82
Other   |            | 0.0215     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138787.0 ave      138787 max      138787 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138787
Ave neighs/atom = 69.393500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.898161102857, Press = -2.10325121554025
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -8075.7145   -8075.7145   -8157.9898   -8157.9898    318.41406    318.41406     23393.66     23393.66   -967.17902   -967.17902 
   20000   -8080.5169   -8080.5169    -8159.515    -8159.515    305.73078    305.73078    23359.011    23359.011    932.10319    932.10319 
Loop time of 18.6938 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.622 ns/day, 5.193 hours/ns, 53.494 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.465     | 18.465     | 18.465     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044911   | 0.044911   | 0.044911   |   0.0 |  0.24
Output  | 6.6627e-05 | 6.6627e-05 | 6.6627e-05 |   0.0 |  0.00
Modify  | 0.16017    | 0.16017    | 0.16017    |   0.0 |  0.86
Other   |            | 0.02371    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138710.0 ave      138710 max      138710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138710
Ave neighs/atom = 69.355000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.85604666072, Press = -2.19962409284709
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -8080.5169   -8080.5169    -8159.515    -8159.515    305.73078    305.73078    23359.011    23359.011    932.10319    932.10319 
   21000   -8075.8489   -8075.8489   -8155.4187   -8155.4187    307.94316    307.94316     23369.69     23369.69    940.29729    940.29729 
Loop time of 18.0544 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.786 ns/day, 5.015 hours/ns, 55.388 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.839     | 17.839     | 17.839     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042419   | 0.042419   | 0.042419   |   0.0 |  0.23
Output  | 5.8401e-05 | 5.8401e-05 | 5.8401e-05 |   0.0 |  0.00
Modify  | 0.14991    | 0.14991    | 0.14991    |   0.0 |  0.83
Other   |            | 0.02314    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138881.0 ave      138881 max      138881 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138881
Ave neighs/atom = 69.440500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.878968118859, Press = -3.30347745654133
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -8075.8489   -8075.8489   -8155.4187   -8155.4187    307.94316    307.94316     23369.69     23369.69    940.29729    940.29729 
   22000   -8079.2488   -8079.2488   -8160.6485   -8160.6485    315.02495    315.02495    23376.665    23376.665   -372.34916   -372.34916 
Loop time of 18.8077 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.594 ns/day, 5.224 hours/ns, 53.170 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.578     | 18.578     | 18.578     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044295   | 0.044295   | 0.044295   |   0.0 |  0.24
Output  | 9.6598e-05 | 9.6598e-05 | 9.6598e-05 |   0.0 |  0.00
Modify  | 0.16103    | 0.16103    | 0.16103    |   0.0 |  0.86
Other   |            | 0.0247     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5433.00 ave        5433 max        5433 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139024.0 ave      139024 max      139024 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139024
Ave neighs/atom = 69.512000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.861200527407, Press = -5.50364035602829
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -8079.2488   -8079.2488   -8160.6485   -8160.6485    315.02495    315.02495    23376.665    23376.665   -372.34916   -372.34916 
   23000   -8076.7635   -8076.7635   -8157.8635   -8157.8635    313.86523    313.86523    23395.751    23395.751   -1150.4506   -1150.4506 
Loop time of 18.8396 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.586 ns/day, 5.233 hours/ns, 53.080 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.608     | 18.608     | 18.608     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044624   | 0.044624   | 0.044624   |   0.0 |  0.24
Output  | 5.9913e-05 | 5.9913e-05 | 5.9913e-05 |   0.0 |  0.00
Modify  | 0.1624     | 0.1624     | 0.1624     |   0.0 |  0.86
Other   |            | 0.025      |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138774.0 ave      138774 max      138774 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138774
Ave neighs/atom = 69.387000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.871665577166, Press = -2.78310425698983
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -8076.7635   -8076.7635   -8157.8635   -8157.8635    313.86523    313.86523    23395.751    23395.751   -1150.4506   -1150.4506 
   24000   -8078.0693   -8078.0693   -8160.3343   -8160.3343    318.37412    318.37412    23354.542    23354.542    1478.5761    1478.5761 
Loop time of 18.7407 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.610 ns/day, 5.206 hours/ns, 53.360 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.509     | 18.509     | 18.509     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044591   | 0.044591   | 0.044591   |   0.0 |  0.24
Output  | 5.6648e-05 | 5.6648e-05 | 5.6648e-05 |   0.0 |  0.00
Modify  | 0.16125    | 0.16125    | 0.16125    |   0.0 |  0.86
Other   |            | 0.02581    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5434.00 ave        5434 max        5434 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138801.0 ave      138801 max      138801 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138801
Ave neighs/atom = 69.400500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.776477631917, Press = -1.08827493273322
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -8078.0693   -8078.0693   -8160.3343   -8160.3343    318.37412    318.37412    23354.542    23354.542    1478.5761    1478.5761 
   25000    -8076.542    -8076.542   -8155.8466   -8155.8466    306.91714    306.91714    23354.965    23354.965    1335.6378    1335.6378 
Loop time of 17.8841 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.831 ns/day, 4.968 hours/ns, 55.916 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.676     | 17.676     | 17.676     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041484   | 0.041484   | 0.041484   |   0.0 |  0.23
Output  | 5.8518e-05 | 5.8518e-05 | 5.8518e-05 |   0.0 |  0.00
Modify  | 0.14539    | 0.14539    | 0.14539    |   0.0 |  0.81
Other   |            | 0.0216     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138831.0 ave      138831 max      138831 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138831
Ave neighs/atom = 69.415500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.733016068833, Press = -5.29669147387137
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000    -8076.542    -8076.542   -8155.8466   -8155.8466    306.91714    306.91714    23354.965    23354.965    1335.6378    1335.6378 
   26000   -8082.0132   -8082.0132   -8161.2344   -8161.2344    306.59436    306.59436    23428.352    23428.352   -3744.4854   -3744.4854 
Loop time of 18.3714 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.703 ns/day, 5.103 hours/ns, 54.433 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.151     | 18.151     | 18.151     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043496   | 0.043496   | 0.043496   |   0.0 |  0.24
Output  | 5.954e-05  | 5.954e-05  | 5.954e-05  |   0.0 |  0.00
Modify  | 0.15374    | 0.15374    | 0.15374    |   0.0 |  0.84
Other   |            | 0.02277    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139184.0 ave      139184 max      139184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139184
Ave neighs/atom = 69.592000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.730850622268, Press = -4.07053240102074
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -8082.0132   -8082.0132   -8161.2344   -8161.2344    306.59436    306.59436    23428.352    23428.352   -3744.4854   -3744.4854 
   27000   -8077.7481   -8077.7481   -8158.8213   -8158.8213    313.76141    313.76141    23358.455    23358.455    1328.5739    1328.5739 
Loop time of 19.7398 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.377 ns/day, 5.483 hours/ns, 50.659 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.487     | 19.487     | 19.487     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047887   | 0.047887   | 0.047887   |   0.0 |  0.24
Output  | 6.306e-05  | 6.306e-05  | 6.306e-05  |   0.0 |  0.00
Modify  | 0.17827    | 0.17827    | 0.17827    |   0.0 |  0.90
Other   |            | 0.02698    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138263.0 ave      138263 max      138263 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138263
Ave neighs/atom = 69.131500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.688443148925, Press = -0.491159519797703
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -8077.7481   -8077.7481   -8158.8213   -8158.8213    313.76141    313.76141    23358.455    23358.455    1328.5739    1328.5739 
   28000   -8081.6612   -8081.6612   -8159.8531   -8159.8531    302.61047    302.61047    23372.501    23372.501    141.33002    141.33002 
Loop time of 18.1001 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.773 ns/day, 5.028 hours/ns, 55.248 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.887     | 17.887     | 17.887     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042636   | 0.042636   | 0.042636   |   0.0 |  0.24
Output  | 8.1618e-05 | 8.1618e-05 | 8.1618e-05 |   0.0 |  0.00
Modify  | 0.14788    | 0.14788    | 0.14788    |   0.0 |  0.82
Other   |            | 0.02211    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5439.00 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138831.0 ave      138831 max      138831 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138831
Ave neighs/atom = 69.415500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.605789141154, Press = -2.065185283257
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -8081.6612   -8081.6612   -8159.8531   -8159.8531    302.61047    302.61047    23372.501    23372.501    141.33002    141.33002 
   29000   -8077.4428   -8077.4428   -8157.1003   -8157.1003    308.28283    308.28283    23364.982    23364.982     705.9721     705.9721 
Loop time of 18.5004 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.670 ns/day, 5.139 hours/ns, 54.053 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.274     | 18.274     | 18.274     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043579   | 0.043579   | 0.043579   |   0.0 |  0.24
Output  | 6.4812e-05 | 6.4812e-05 | 6.4812e-05 |   0.0 |  0.00
Modify  | 0.15787    | 0.15787    | 0.15787    |   0.0 |  0.85
Other   |            | 0.02447    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5435.00 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138782.0 ave      138782 max      138782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138782
Ave neighs/atom = 69.391000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.505711957102, Press = -1.78022054636146
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -8077.4428   -8077.4428   -8157.1003   -8157.1003    308.28283    308.28283    23364.982    23364.982     705.9721     705.9721 
   30000   -8080.9353   -8080.9353   -8160.9269   -8160.9269    309.57557    309.57557    23376.436    23376.436    -118.7363    -118.7363 
Loop time of 19.2097 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.498 ns/day, 5.336 hours/ns, 52.057 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.963     | 18.963     | 18.963     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046979   | 0.046979   | 0.046979   |   0.0 |  0.24
Output  | 7.7006e-05 | 7.7006e-05 | 7.7006e-05 |   0.0 |  0.00
Modify  | 0.17042    | 0.17042    | 0.17042    |   0.0 |  0.89
Other   |            | 0.02932    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138903.0 ave      138903 max      138903 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138903
Ave neighs/atom = 69.451500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.488187065895, Press = -4.19811318795116
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -8080.9353   -8080.9353   -8160.9269   -8160.9269    309.57557    309.57557    23376.436    23376.436    -118.7363    -118.7363 
   31000    -8073.948    -8073.948   -8158.1843   -8158.1843    326.00321    326.00321    23408.674    23408.674   -1741.2702   -1741.2702 
Loop time of 19.8534 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.352 ns/day, 5.515 hours/ns, 50.369 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.591     | 19.591     | 19.591     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048841   | 0.048841   | 0.048841   |   0.0 |  0.25
Output  | 9.3335e-05 | 9.3335e-05 | 9.3335e-05 |   0.0 |  0.00
Modify  | 0.18238    | 0.18238    | 0.18238    |   0.0 |  0.92
Other   |            | 0.03146    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138739.0 ave      138739 max      138739 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138739
Ave neighs/atom = 69.369500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.530387198255, Press = -1.16977369373599
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000    -8073.948    -8073.948   -8158.1843   -8158.1843    326.00321    326.00321    23408.674    23408.674   -1741.2702   -1741.2702 
   32000   -8080.3029   -8080.3029   -8159.5515   -8159.5515    306.70023    306.70023    23345.706    23345.706    2046.7747    2046.7747 
Loop time of 19.0807 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.528 ns/day, 5.300 hours/ns, 52.409 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.828     | 18.828     | 18.828     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046709   | 0.046709   | 0.046709   |   0.0 |  0.24
Output  | 0.00016799 | 0.00016799 | 0.00016799 |   0.0 |  0.00
Modify  | 0.17545    | 0.17545    | 0.17545    |   0.0 |  0.92
Other   |            | 0.03033    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138640.0 ave      138640 max      138640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138640
Ave neighs/atom = 69.320000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.643943582757, Press = -0.52300828815627
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -8080.3029   -8080.3029   -8159.5515   -8159.5515    306.70023    306.70023    23345.706    23345.706    2046.7747    2046.7747 
   33000    -8076.304    -8076.304   -8156.7598   -8156.7598    311.37218    311.37218    23377.711    23377.711     8.139466     8.139466 
Loop time of 18.8097 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.593 ns/day, 5.225 hours/ns, 53.164 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.565     | 18.565     | 18.565     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045349   | 0.045349   | 0.045349   |   0.0 |  0.24
Output  | 8.9796e-05 | 8.9796e-05 | 8.9796e-05 |   0.0 |  0.00
Modify  | 0.17004    | 0.17004    | 0.17004    |   0.0 |  0.90
Other   |            | 0.02904    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138961.0 ave      138961 max      138961 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138961
Ave neighs/atom = 69.480500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.691397182912, Press = -4.92817616523309
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000    -8076.304    -8076.304   -8156.7598   -8156.7598    311.37218    311.37218    23377.711    23377.711     8.139466     8.139466 
   34000   -8077.1734   -8077.1734   -8158.5616   -8158.5616    314.98091    314.98091    23402.278    23402.278   -1796.8507   -1796.8507 
Loop time of 19.1408 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.514 ns/day, 5.317 hours/ns, 52.244 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.888     | 18.888     | 18.888     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047209   | 0.047209   | 0.047209   |   0.0 |  0.25
Output  | 0.00011109 | 0.00011109 | 0.00011109 |   0.0 |  0.00
Modify  | 0.17537    | 0.17537    | 0.17537    |   0.0 |  0.92
Other   |            | 0.02996    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5462.00 ave        5462 max        5462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138873.0 ave      138873 max      138873 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138873
Ave neighs/atom = 69.436500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.698986867494, Press = -0.873757130965655
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -8077.1734   -8077.1734   -8158.5616   -8158.5616    314.98091    314.98091    23402.278    23402.278   -1796.8507   -1796.8507 
   35000   -8080.1497   -8080.1497   -8161.4149   -8161.4149    314.50487    314.50487    23356.408    23356.408    1068.8781    1068.8781 
Loop time of 18.2378 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.737 ns/day, 5.066 hours/ns, 54.831 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.014     | 18.014     | 18.014     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042989   | 0.042989   | 0.042989   |   0.0 |  0.24
Output  | 8.3046e-05 | 8.3046e-05 | 8.3046e-05 |   0.0 |  0.00
Modify  | 0.15554    | 0.15554    | 0.15554    |   0.0 |  0.85
Other   |            | 0.02503    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5419.00 ave        5419 max        5419 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138612.0 ave      138612 max      138612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138612
Ave neighs/atom = 69.306000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.7429297332, Press = -0.805143409429915
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -8080.1497   -8080.1497   -8161.4149   -8161.4149    314.50487    314.50487    23356.408    23356.408    1068.8781    1068.8781 
   36000   -8079.2798   -8079.2798   -8159.3008   -8159.3008    309.68958    309.68958    23361.774    23361.774    1328.4204    1328.4204 
Loop time of 18.7656 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.604 ns/day, 5.213 hours/ns, 53.289 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.525     | 18.525     | 18.525     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045242   | 0.045242   | 0.045242   |   0.0 |  0.24
Output  | 9.3881e-05 | 9.3881e-05 | 9.3881e-05 |   0.0 |  0.00
Modify  | 0.16729    | 0.16729    | 0.16729    |   0.0 |  0.89
Other   |            | 0.02813    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138837.0 ave      138837 max      138837 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138837
Ave neighs/atom = 69.418500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.679683427114, Press = -2.36100005339188
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -8079.2798   -8079.2798   -8159.3008   -8159.3008    309.68958    309.68958    23361.774    23361.774    1328.4204    1328.4204 
   37000    -8079.512    -8079.512   -8158.4969   -8158.4969    305.67987    305.67987    23370.091    23370.091    183.61945    183.61945 
Loop time of 18.97 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.555 ns/day, 5.269 hours/ns, 52.715 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.724     | 18.724     | 18.724     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046361   | 0.046361   | 0.046361   |   0.0 |  0.24
Output  | 9.7195e-05 | 9.7195e-05 | 9.7195e-05 |   0.0 |  0.00
Modify  | 0.17083    | 0.17083    | 0.17083    |   0.0 |  0.90
Other   |            | 0.02886    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138826.0 ave      138826 max      138826 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138826
Ave neighs/atom = 69.413000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.676815296019, Press = -3.23582550672099
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000    -8079.512    -8079.512   -8158.4969   -8158.4969    305.67987    305.67987    23370.091    23370.091    183.61945    183.61945 
   38000   -8079.0427   -8079.0427   -8159.7026   -8159.7026    312.16242    312.16242    23395.878    23395.878   -1492.5702   -1492.5702 
Loop time of 19.1426 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.514 ns/day, 5.317 hours/ns, 52.240 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.89      | 18.89      | 18.89      |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046886   | 0.046886   | 0.046886   |   0.0 |  0.24
Output  | 9.5934e-05 | 9.5934e-05 | 9.5934e-05 |   0.0 |  0.00
Modify  | 0.17568    | 0.17568    | 0.17568    |   0.0 |  0.92
Other   |            | 0.0301     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138949.0 ave      138949 max      138949 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138949
Ave neighs/atom = 69.474500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.606170940942, Press = -1.862265222501
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -8079.0427   -8079.0427   -8159.7026   -8159.7026    312.16242    312.16242    23395.878    23395.878   -1492.5702   -1492.5702 
   39000   -8079.9208   -8079.9208   -8161.7838   -8161.7838    316.81803    316.81803    23349.078    23349.078    1539.7727    1539.7727 
Loop time of 19.0282 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.541 ns/day, 5.286 hours/ns, 52.553 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.78      | 18.78      | 18.78      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046774   | 0.046774   | 0.046774   |   0.0 |  0.25
Output  | 7.247e-05  | 7.247e-05  | 7.247e-05  |   0.0 |  0.00
Modify  | 0.17269    | 0.17269    | 0.17269    |   0.0 |  0.91
Other   |            | 0.02892    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138683.0 ave      138683 max      138683 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138683
Ave neighs/atom = 69.341500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.610281744643, Press = 0.519088338397025
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -8079.9208   -8079.9208   -8161.7838   -8161.7838    316.81803    316.81803    23349.078    23349.078    1539.7727    1539.7727 
   40000   -8077.5008   -8077.5008   -8160.3735   -8160.3735    320.72583    320.72583    23337.587    23337.587    2488.1363    2488.1363 
Loop time of 18.6471 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.633 ns/day, 5.180 hours/ns, 53.628 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.414     | 18.414     | 18.414     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044428   | 0.044428   | 0.044428   |   0.0 |  0.24
Output  | 0.00010267 | 0.00010267 | 0.00010267 |   0.0 |  0.00
Modify  | 0.16266    | 0.16266    | 0.16266    |   0.0 |  0.87
Other   |            | 0.02627    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138976.0 ave      138976 max      138976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138976
Ave neighs/atom = 69.488000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.536757703789, Press = -3.81373758720553
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -8077.5008   -8077.5008   -8160.3735   -8160.3735    320.72583    320.72583    23337.587    23337.587    2488.1363    2488.1363 
   41000    -8073.129    -8073.129   -8156.5485   -8156.5485    322.84203    322.84203    23405.529    23405.529   -1657.3806   -1657.3806 
Loop time of 19.3014 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.476 ns/day, 5.361 hours/ns, 51.810 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.055     | 19.055     | 19.055     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046664   | 0.046664   | 0.046664   |   0.0 |  0.24
Output  | 6.5396e-05 | 6.5396e-05 | 6.5396e-05 |   0.0 |  0.00
Modify  | 0.17224    | 0.17224    | 0.17224    |   0.0 |  0.89
Other   |            | 0.02742    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139032.0 ave      139032 max      139032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139032
Ave neighs/atom = 69.516000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.593297888716, Press = -2.56582075707313
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000    -8073.129    -8073.129   -8156.5485   -8156.5485    322.84203    322.84203    23405.529    23405.529   -1657.3806   -1657.3806 
   42000   -8078.0394   -8078.0394   -8158.7838   -8158.7838    312.48915    312.48915    23381.084    23381.084   -521.07815   -521.07815 
Loop time of 18.9039 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.570 ns/day, 5.251 hours/ns, 52.899 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.66      | 18.66      | 18.66      |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046254   | 0.046254   | 0.046254   |   0.0 |  0.24
Output  | 0.00011223 | 0.00011223 | 0.00011223 |   0.0 |  0.00
Modify  | 0.16962    | 0.16962    | 0.16962    |   0.0 |  0.90
Other   |            | 0.02785    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138791.0 ave      138791 max      138791 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138791
Ave neighs/atom = 69.395500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.637203116109, Press = -1.20354526340085
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -8078.0394   -8078.0394   -8158.7838   -8158.7838    312.48915    312.48915    23381.084    23381.084   -521.07815   -521.07815 
   43000   -8081.7074   -8081.7074   -8162.3957   -8162.3957    312.27178    312.27178    23367.688    23367.688    411.57457    411.57457 
Loop time of 18.6222 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.640 ns/day, 5.173 hours/ns, 53.699 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.385     | 18.385     | 18.385     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044981   | 0.044981   | 0.044981   |   0.0 |  0.24
Output  | 6.1142e-05 | 6.1142e-05 | 6.1142e-05 |   0.0 |  0.00
Modify  | 0.16546    | 0.16546    | 0.16546    |   0.0 |  0.89
Other   |            | 0.0272     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138863.0 ave      138863 max      138863 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138863
Ave neighs/atom = 69.431500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.639604507081, Press = -2.11550081774706
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -8081.7074   -8081.7074   -8162.3957   -8162.3957    312.27178    312.27178    23367.688    23367.688    411.57457    411.57457 
   44000   -8077.9856   -8077.9856    -8157.857    -8157.857    309.11083    309.11083    23367.886    23367.886    734.65054    734.65054 
Loop time of 18.3525 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.708 ns/day, 5.098 hours/ns, 54.489 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.121     | 18.121     | 18.121     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044163   | 0.044163   | 0.044163   |   0.0 |  0.24
Output  | 6.1513e-05 | 6.1513e-05 | 6.1513e-05 |   0.0 |  0.00
Modify  | 0.16092    | 0.16092    | 0.16092    |   0.0 |  0.88
Other   |            | 0.02634    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138716.0 ave      138716 max      138716 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138716
Ave neighs/atom = 69.358000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.589687660024, Press = -1.54071502673834
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -8077.9856   -8077.9856    -8157.857    -8157.857    309.11083    309.11083    23367.886    23367.886    734.65054    734.65054 
   45000   -8080.4728   -8080.4728   -8160.0899   -8160.0899    308.12665    308.12665    23383.446    23383.446   -569.39655   -569.39655 
Loop time of 18.0577 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.785 ns/day, 5.016 hours/ns, 55.378 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.837     | 17.837     | 17.837     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042704   | 0.042704   | 0.042704   |   0.0 |  0.24
Output  | 8.339e-05  | 8.339e-05  | 8.339e-05  |   0.0 |  0.00
Modify  | 0.1536     | 0.1536     | 0.1536     |   0.0 |  0.85
Other   |            | 0.02443    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138869.0 ave      138869 max      138869 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138869
Ave neighs/atom = 69.434500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.595967308559, Press = -1.70316512144876
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -8080.4728   -8080.4728   -8160.0899   -8160.0899    308.12665    308.12665    23383.446    23383.446   -569.39655   -569.39655 
   46000    -8075.296    -8075.296   -8157.0944   -8157.0944    316.56827    316.56827    23380.268    23380.268    181.21197    181.21197 
Loop time of 17.9413 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.816 ns/day, 4.984 hours/ns, 55.737 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.724     | 17.724     | 17.724     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042032   | 0.042032   | 0.042032   |   0.0 |  0.23
Output  | 6.612e-05  | 6.612e-05  | 6.612e-05  |   0.0 |  0.00
Modify  | 0.15155    | 0.15155    | 0.15155    |   0.0 |  0.84
Other   |            | 0.02374    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138717.0 ave      138717 max      138717 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138717
Ave neighs/atom = 69.358500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.626782698924, Press = -1.62469403018204
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000    -8075.296    -8075.296   -8157.0944   -8157.0944    316.56827    316.56827    23380.268    23380.268    181.21197    181.21197 
   47000   -8079.2492   -8079.2492   -8161.0541   -8161.0541    316.59321    316.59321    23365.845    23365.845    403.94111    403.94111 
Loop time of 17.7289 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.873 ns/day, 4.925 hours/ns, 56.405 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.518     | 17.518     | 17.518     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040959   | 0.040959   | 0.040959   |   0.0 |  0.23
Output  | 8.7842e-05 | 8.7842e-05 | 8.7842e-05 |   0.0 |  0.00
Modify  | 0.14745    | 0.14745    | 0.14745    |   0.0 |  0.83
Other   |            | 0.02264    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138914.0 ave      138914 max      138914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138914
Ave neighs/atom = 69.457000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.641738214132, Press = -1.87352892686892
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -8079.2492   -8079.2492   -8161.0541   -8161.0541    316.59321    316.59321    23365.845    23365.845    403.94111    403.94111 
   48000   -8082.5364   -8082.5364   -8160.6271   -8160.6271      302.219      302.219    23387.837    23387.837   -942.33423   -942.33423 
Loop time of 18.4431 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.685 ns/day, 5.123 hours/ns, 54.221 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.209     | 18.209     | 18.209     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044417   | 0.044417   | 0.044417   |   0.0 |  0.24
Output  | 9.0556e-05 | 9.0556e-05 | 9.0556e-05 |   0.0 |  0.00
Modify  | 0.16206    | 0.16206    | 0.16206    |   0.0 |  0.88
Other   |            | 0.02724    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138800.0 ave      138800 max      138800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138800
Ave neighs/atom = 69.400000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.6302678056, Press = -1.61240024856049
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -8082.5364   -8082.5364   -8160.6271   -8160.6271      302.219      302.219    23387.837    23387.837   -942.33423   -942.33423 
   49000   -8076.4029   -8076.4029   -8157.7064   -8157.7064    314.65305    314.65305     23371.44     23371.44    544.16961    544.16961 
Loop time of 18.7161 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.616 ns/day, 5.199 hours/ns, 53.430 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.475     | 18.475     | 18.475     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045721   | 0.045721   | 0.045721   |   0.0 |  0.24
Output  | 9.1179e-05 | 9.1179e-05 | 9.1179e-05 |   0.0 |  0.00
Modify  | 0.16757    | 0.16757    | 0.16757    |   0.0 |  0.90
Other   |            | 0.02781    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138652.0 ave      138652 max      138652 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138652
Ave neighs/atom = 69.326000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.583290053183, Press = -0.132116382895903
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -8076.4029   -8076.4029   -8157.7064   -8157.7064    314.65305    314.65305     23371.44     23371.44    544.16961    544.16961 
   50000   -8078.7614   -8078.7614   -8158.8712   -8158.8712    310.03333    310.03333    23326.672    23326.672    3358.6295    3358.6295 
Loop time of 18.5938 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.647 ns/day, 5.165 hours/ns, 53.781 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.355     | 18.355     | 18.355     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045275   | 0.045275   | 0.045275   |   0.0 |  0.24
Output  | 9.5543e-05 | 9.5543e-05 | 9.5543e-05 |   0.0 |  0.00
Modify  | 0.16604    | 0.16604    | 0.16604    |   0.0 |  0.89
Other   |            | 0.02777    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138882.0 ave      138882 max      138882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138882
Ave neighs/atom = 69.441000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.580218565065, Press = -2.62395928957527
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -8078.7614   -8078.7614   -8158.8712   -8158.8712    310.03333    310.03333    23326.672    23326.672    3358.6295    3358.6295 
   51000   -8078.1982   -8078.1982   -8158.8865   -8158.8865    312.27196    312.27196    23403.331    23403.331   -1786.2894   -1786.2894 
Loop time of 18.2361 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.738 ns/day, 5.066 hours/ns, 54.836 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.006     | 18.006     | 18.006     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044432   | 0.044432   | 0.044432   |   0.0 |  0.24
Output  | 9.5934e-05 | 9.5934e-05 | 9.5934e-05 |   0.0 |  0.00
Modify  | 0.15959    | 0.15959    | 0.15959    |   0.0 |  0.88
Other   |            | 0.02573    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139109.0 ave      139109 max      139109 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139109
Ave neighs/atom = 69.554500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.570186076617, Press = -3.1010453645199
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -8078.1982   -8078.1982   -8158.8865   -8158.8865    312.27196    312.27196    23403.331    23403.331   -1786.2894   -1786.2894 
   52000   -8077.0493   -8077.0493   -8160.7411   -8160.7411    323.89595    323.89595    23396.099    23396.099   -1389.6472   -1389.6472 
Loop time of 18.3895 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.698 ns/day, 5.108 hours/ns, 54.379 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.158     | 18.158     | 18.158     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044525   | 0.044525   | 0.044525   |   0.0 |  0.24
Output  | 6.1967e-05 | 6.1967e-05 | 6.1967e-05 |   0.0 |  0.00
Modify  | 0.16134    | 0.16134    | 0.16134    |   0.0 |  0.88
Other   |            | 0.02599    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138660.0 ave      138660 max      138660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138660
Ave neighs/atom = 69.330000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.571617066391, Press = -0.60998491627638
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -8077.0493   -8077.0493   -8160.7411   -8160.7411    323.89595    323.89595    23396.099    23396.099   -1389.6472   -1389.6472 
   53000   -8078.6581   -8078.6581   -8160.2939   -8160.2939     315.9388     315.9388    23358.046    23358.046    1156.4445    1156.4445 
Loop time of 18.5989 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.645 ns/day, 5.166 hours/ns, 53.767 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.361     | 18.361     | 18.361     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045279   | 0.045279   | 0.045279   |   0.0 |  0.24
Output  | 9.4584e-05 | 9.4584e-05 | 9.4584e-05 |   0.0 |  0.00
Modify  | 0.16588    | 0.16588    | 0.16588    |   0.0 |  0.89
Other   |            | 0.02694    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138584.0 ave      138584 max      138584 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138584
Ave neighs/atom = 69.292000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.606999474311, Press = -1.78582590037213
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -8078.6581   -8078.6581   -8160.2939   -8160.2939     315.9388     315.9388    23358.046    23358.046    1156.4445    1156.4445 
   54000   -8074.3742   -8074.3742   -8156.1154   -8156.1154    316.34713    316.34713    23375.536    23375.536    338.73907    338.73907 
Loop time of 18.4253 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.689 ns/day, 5.118 hours/ns, 54.273 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.191     | 18.191     | 18.191     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04474    | 0.04474    | 0.04474    |   0.0 |  0.24
Output  | 6.0082e-05 | 6.0082e-05 | 6.0082e-05 |   0.0 |  0.00
Modify  | 0.16344    | 0.16344    | 0.16344    |   0.0 |  0.89
Other   |            | 0.02579    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138921.0 ave      138921 max      138921 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138921
Ave neighs/atom = 69.460500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.61833078312, Press = -2.18881641375629
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -8074.3742   -8074.3742   -8156.1154   -8156.1154    316.34713    316.34713    23375.536    23375.536    338.73907    338.73907 
   55000   -8078.7604   -8078.7604    -8160.188    -8160.188    315.13309    315.13309     23387.93     23387.93   -520.48086   -520.48086 
Loop time of 18.4087 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.693 ns/day, 5.114 hours/ns, 54.322 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.176     | 18.176     | 18.176     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044444   | 0.044444   | 0.044444   |   0.0 |  0.24
Output  | 6.1127e-05 | 6.1127e-05 | 6.1127e-05 |   0.0 |  0.00
Modify  | 0.1625     | 0.1625     | 0.1625     |   0.0 |  0.88
Other   |            | 0.02582    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139005.0 ave      139005 max      139005 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139005
Ave neighs/atom = 69.502500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.660142599033, Press = -2.09197604473854
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -8078.7604   -8078.7604    -8160.188    -8160.188    315.13309    315.13309     23387.93     23387.93   -520.48086   -520.48086 
   56000    -8077.735    -8077.735   -8159.2071   -8159.2071    315.30521    315.30521     23364.52     23364.52    917.07168    917.07168 
Loop time of 18.216 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.743 ns/day, 5.060 hours/ns, 54.897 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.991     | 17.991     | 17.991     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043774   | 0.043774   | 0.043774   |   0.0 |  0.24
Output  | 0.00017797 | 0.00017797 | 0.00017797 |   0.0 |  0.00
Modify  | 0.15707    | 0.15707    | 0.15707    |   0.0 |  0.86
Other   |            | 0.02407    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138706.0 ave      138706 max      138706 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138706
Ave neighs/atom = 69.353000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.630597753123, Press = -0.0984429257265284
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000    -8077.735    -8077.735   -8159.2071   -8159.2071    315.30521    315.30521     23364.52     23364.52    917.07168    917.07168 
   57000   -8076.1369   -8076.1369   -8159.0392   -8159.0392    320.84051    320.84051    23333.507    23333.507    2872.8613    2872.8613 
Loop time of 18.5032 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.669 ns/day, 5.140 hours/ns, 54.045 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.274     | 18.274     | 18.274     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044937   | 0.044937   | 0.044937   |   0.0 |  0.24
Output  | 6.3255e-05 | 6.3255e-05 | 6.3255e-05 |   0.0 |  0.00
Modify  | 0.16009    | 0.16009    | 0.16009    |   0.0 |  0.87
Other   |            | 0.0242     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138885.0 ave      138885 max      138885 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138885
Ave neighs/atom = 69.442500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.607187472618, Press = -2.30276534532915
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -8076.1369   -8076.1369   -8159.0392   -8159.0392    320.84051    320.84051    23333.507    23333.507    2872.8613    2872.8613 
   58000   -8082.7216   -8082.7216   -8162.1691   -8162.1691    307.46982    307.46982    23398.872    23398.872   -1713.3576   -1713.3576 
Loop time of 18.8916 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.573 ns/day, 5.248 hours/ns, 52.933 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.652     | 18.652     | 18.652     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046403   | 0.046403   | 0.046403   |   0.0 |  0.25
Output  | 6.3385e-05 | 6.3385e-05 | 6.3385e-05 |   0.0 |  0.00
Modify  | 0.168      | 0.168      | 0.168      |   0.0 |  0.89
Other   |            | 0.02529    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139096.0 ave      139096 max      139096 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139096
Ave neighs/atom = 69.548000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.574971103508, Press = -2.08500982938511
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -8082.7216   -8082.7216   -8162.1691   -8162.1691    307.46982    307.46982    23398.872    23398.872   -1713.3576   -1713.3576 
   59000   -8078.8895   -8078.8895   -8158.4811   -8158.4811     308.0277     308.0277    23366.041    23366.041    533.97469    533.97469 
Loop time of 18.2361 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.738 ns/day, 5.066 hours/ns, 54.836 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.011     | 18.011     | 18.011     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043744   | 0.043744   | 0.043744   |   0.0 |  0.24
Output  | 0.00022384 | 0.00022384 | 0.00022384 |   0.0 |  0.00
Modify  | 0.15747    | 0.15747    | 0.15747    |   0.0 |  0.86
Other   |            | 0.02377    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138566.0 ave      138566 max      138566 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138566
Ave neighs/atom = 69.283000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.568886692709, Press = -0.489065564597958
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -8078.8895   -8078.8895   -8158.4811   -8158.4811     308.0277     308.0277    23366.041    23366.041    533.97469    533.97469 
   60000    -8077.523    -8077.523   -8158.0359   -8158.0359    311.59307    311.59307    23335.089    23335.089    3033.0422    3033.0422 
Loop time of 17.7419 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.870 ns/day, 4.928 hours/ns, 56.364 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.524     | 17.524     | 17.524     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041737   | 0.041737   | 0.041737   |   0.0 |  0.24
Output  | 8.149e-05  | 8.149e-05  | 8.149e-05  |   0.0 |  0.00
Modify  | 0.15194    | 0.15194    | 0.15194    |   0.0 |  0.86
Other   |            | 0.02367    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139026.0 ave      139026 max      139026 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139026
Ave neighs/atom = 69.513000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.552186715554, Press = -1.19508366879174
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000    -8077.523    -8077.523   -8158.0359   -8158.0359    311.59307    311.59307    23335.089    23335.089    3033.0422    3033.0422 
   61000   -8077.2086   -8077.2086    -8157.419    -8157.419    310.42247    310.42247    23373.969    23373.969    186.53005    186.53005 
Loop time of 17.6689 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.890 ns/day, 4.908 hours/ns, 56.597 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.458     | 17.458     | 17.458     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041525   | 0.041525   | 0.041525   |   0.0 |  0.24
Output  | 0.0001448  | 0.0001448  | 0.0001448  |   0.0 |  0.00
Modify  | 0.14744    | 0.14744    | 0.14744    |   0.0 |  0.83
Other   |            | 0.02214    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139043.0 ave      139043 max      139043 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139043
Ave neighs/atom = 69.521500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.572065863393, Press = -2.52584300115933
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -8077.2086   -8077.2086    -8157.419    -8157.419    310.42247    310.42247    23373.969    23373.969    186.53005    186.53005 
   62000   -8076.8458   -8076.8458   -8158.6768   -8158.6768     316.6942     316.6942    23380.592    23380.592   -167.96421   -167.96421 
Loop time of 17.7528 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.867 ns/day, 4.931 hours/ns, 56.329 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.54      | 17.54      | 17.54      |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041906   | 0.041906   | 0.041906   |   0.0 |  0.24
Output  | 8.3485e-05 | 8.3485e-05 | 8.3485e-05 |   0.0 |  0.00
Modify  | 0.14869    | 0.14869    | 0.14869    |   0.0 |  0.84
Other   |            | 0.02198    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138926.0 ave      138926 max      138926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138926
Ave neighs/atom = 69.463000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.57839614443, Press = -1.41624601796804
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -8076.8458   -8076.8458   -8158.6768   -8158.6768     316.6942     316.6942    23380.592    23380.592   -167.96421   -167.96421 
   63000   -8075.9411   -8075.9411   -8156.6543   -8156.6543    312.36812    312.36812    23364.704    23364.704    930.19263    930.19263 
Loop time of 17.6325 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.900 ns/day, 4.898 hours/ns, 56.714 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.424     | 17.424     | 17.424     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041354   | 0.041354   | 0.041354   |   0.0 |  0.23
Output  | 9.0205e-05 | 9.0205e-05 | 9.0205e-05 |   0.0 |  0.00
Modify  | 0.1456     | 0.1456     | 0.1456     |   0.0 |  0.83
Other   |            | 0.02154    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138878.0 ave      138878 max      138878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138878
Ave neighs/atom = 69.439000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.659127774444, Press = -1.51695400251861
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -8075.9411   -8075.9411   -8156.6543   -8156.6543    312.36812    312.36812    23364.704    23364.704    930.19263    930.19263 
   64000    -8077.766    -8077.766   -8158.6197   -8158.6197    312.91235    312.91235    23391.541    23391.541   -1078.3032   -1078.3032 
Loop time of 18.1092 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.771 ns/day, 5.030 hours/ns, 55.221 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.889     | 17.889     | 17.889     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043017   | 0.043017   | 0.043017   |   0.0 |  0.24
Output  | 6.1865e-05 | 6.1865e-05 | 6.1865e-05 |   0.0 |  0.00
Modify  | 0.15403    | 0.15403    | 0.15403    |   0.0 |  0.85
Other   |            | 0.02303    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139058.0 ave      139058 max      139058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139058
Ave neighs/atom = 69.529000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.675167675776, Press = -2.20101349885205
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000    -8077.766    -8077.766   -8158.6197   -8158.6197    312.91235    312.91235    23391.541    23391.541   -1078.3032   -1078.3032 
   65000   -8080.0176   -8080.0176   -8159.8613   -8159.8613    309.00329    309.00329    23401.239    23401.239   -1885.6582   -1885.6582 
Loop time of 17.6536 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.894 ns/day, 4.904 hours/ns, 56.646 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.445     | 17.445     | 17.445     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041256   | 0.041256   | 0.041256   |   0.0 |  0.23
Output  | 9.6377e-05 | 9.6377e-05 | 9.6377e-05 |   0.0 |  0.00
Modify  | 0.14555    | 0.14555    | 0.14555    |   0.0 |  0.82
Other   |            | 0.02169    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138803.0 ave      138803 max      138803 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138803
Ave neighs/atom = 69.401500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.682592059408, Press = -0.952408698014169
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -8080.0176   -8080.0176   -8159.8613   -8159.8613    309.00329    309.00329    23401.239    23401.239   -1885.6582   -1885.6582 
   66000   -8077.5006   -8077.5006   -8158.5007   -8158.5007    313.47883    313.47883    23332.268    23332.268    2845.5564    2845.5564 
Loop time of 17.7579 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.865 ns/day, 4.933 hours/ns, 56.313 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.544     | 17.544     | 17.544     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042012   | 0.042012   | 0.042012   |   0.0 |  0.24
Output  | 6.1716e-05 | 6.1716e-05 | 6.1716e-05 |   0.0 |  0.00
Modify  | 0.14959    | 0.14959    | 0.14959    |   0.0 |  0.84
Other   |            | 0.02239    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138614.0 ave      138614 max      138614 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138614
Ave neighs/atom = 69.307000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.682104573621, Press = -0.954744022320757
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -8077.5006   -8077.5006   -8158.5007   -8158.5007    313.47883    313.47883    23332.268    23332.268    2845.5564    2845.5564 
   67000   -8082.3661   -8082.3661   -8161.0683   -8161.0683    304.58569    304.58569    23385.328    23385.328   -1071.7068   -1071.7068 
Loop time of 18.2057 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.746 ns/day, 5.057 hours/ns, 54.928 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.984     | 17.984     | 17.984     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043537   | 0.043537   | 0.043537   |   0.0 |  0.24
Output  | 6.1852e-05 | 6.1852e-05 | 6.1852e-05 |   0.0 |  0.00
Modify  | 0.15545    | 0.15545    | 0.15545    |   0.0 |  0.85
Other   |            | 0.02301    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139218.0 ave      139218 max      139218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139218
Ave neighs/atom = 69.609000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.658785776288, Press = -2.6529004742922
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -8082.3661   -8082.3661   -8161.0683   -8161.0683    304.58569    304.58569    23385.328    23385.328   -1071.7068   -1071.7068 
   68000   -8078.0849   -8078.0849   -8157.9271   -8157.9271    308.99757    308.99757     23405.75     23405.75   -2117.5996   -2117.5996 
Loop time of 17.6437 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.897 ns/day, 4.901 hours/ns, 56.678 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.434     | 17.434     | 17.434     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041187   | 0.041187   | 0.041187   |   0.0 |  0.23
Output  | 9.6814e-05 | 9.6814e-05 | 9.6814e-05 |   0.0 |  0.00
Modify  | 0.14644    | 0.14644    | 0.14644    |   0.0 |  0.83
Other   |            | 0.02181    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138783.0 ave      138783 max      138783 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138783
Ave neighs/atom = 69.391500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.66225441927, Press = -0.820023853269232
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -8078.0849   -8078.0849   -8157.9271   -8157.9271    308.99757    308.99757     23405.75     23405.75   -2117.5996   -2117.5996 
   69000   -8079.2645   -8079.2645   -8158.5628   -8158.5628    306.89256    306.89256    23352.806    23352.806    1385.9832    1385.9832 
Loop time of 17.6058 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.907 ns/day, 4.891 hours/ns, 56.799 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.394     | 17.394     | 17.394     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041553   | 0.041553   | 0.041553   |   0.0 |  0.24
Output  | 6.2931e-05 | 6.2931e-05 | 6.2931e-05 |   0.0 |  0.00
Modify  | 0.1477     | 0.1477     | 0.1477     |   0.0 |  0.84
Other   |            | 0.02242    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138827.0 ave      138827 max      138827 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138827
Ave neighs/atom = 69.413500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.652111170472, Press = -0.773676515045486
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -8079.2645   -8079.2645   -8158.5628   -8158.5628    306.89256    306.89256    23352.806    23352.806    1385.9832    1385.9832 
   70000   -8075.9011   -8075.9011   -8157.8022   -8157.8022     316.9659     316.9659    23387.065    23387.065   -496.89637   -496.89637 
Loop time of 17.5994 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.909 ns/day, 4.889 hours/ns, 56.820 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.391     | 17.391     | 17.391     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040859   | 0.040859   | 0.040859   |   0.0 |  0.23
Output  | 8.9511e-05 | 8.9511e-05 | 8.9511e-05 |   0.0 |  0.00
Modify  | 0.14566    | 0.14566    | 0.14566    |   0.0 |  0.83
Other   |            | 0.02185    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139086.0 ave      139086 max      139086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139086
Ave neighs/atom = 69.543000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.681720187248, Press = -1.27308190855657
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -8075.9011   -8075.9011   -8157.8022   -8157.8022     316.9659     316.9659    23387.065    23387.065   -496.89637   -496.89637 
   71000   -8080.3146   -8080.3146   -8159.5949   -8159.5949    306.82301    306.82301     23375.66     23375.66    -275.0113    -275.0113 
Loop time of 17.5917 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.911 ns/day, 4.887 hours/ns, 56.845 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.384     | 17.384     | 17.384     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040693   | 0.040693   | 0.040693   |   0.0 |  0.23
Output  | 7.0774e-05 | 7.0774e-05 | 7.0774e-05 |   0.0 |  0.00
Modify  | 0.14522    | 0.14522    | 0.14522    |   0.0 |  0.83
Other   |            | 0.02143    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138823.0 ave      138823 max      138823 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138823
Ave neighs/atom = 69.411500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.710688148014, Press = -0.974087537968606
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -8080.3146   -8080.3146   -8159.5949   -8159.5949    306.82301    306.82301     23375.66     23375.66    -275.0113    -275.0113 
   72000   -8076.2915   -8076.2915   -8159.1501   -8159.1501    320.67122    320.67122    23374.574    23374.574    320.49242    320.49242 
Loop time of 17.8507 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.840 ns/day, 4.959 hours/ns, 56.020 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.635     | 17.635     | 17.635     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042116   | 0.042116   | 0.042116   |   0.0 |  0.24
Output  | 8.1431e-05 | 8.1431e-05 | 8.1431e-05 |   0.0 |  0.00
Modify  | 0.1505     | 0.1505     | 0.1505     |   0.0 |  0.84
Other   |            | 0.02268    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5429.00 ave        5429 max        5429 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138871.0 ave      138871 max      138871 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138871
Ave neighs/atom = 69.435500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.737559547659, Press = -0.988111421766488
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -8076.2915   -8076.2915   -8159.1501   -8159.1501    320.67122    320.67122    23374.574    23374.574    320.49242    320.49242 
   73000   -8084.0082   -8084.0082   -8161.0371   -8161.0371    298.10959    298.10959    23341.938    23341.938    1753.0895    1753.0895 
Loop time of 17.6065 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.907 ns/day, 4.891 hours/ns, 56.797 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.398     | 17.398     | 17.398     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040955   | 0.040955   | 0.040955   |   0.0 |  0.23
Output  | 8.4998e-05 | 8.4998e-05 | 8.4998e-05 |   0.0 |  0.00
Modify  | 0.14524    | 0.14524    | 0.14524    |   0.0 |  0.82
Other   |            | 0.0218     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138856.0 ave      138856 max      138856 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138856
Ave neighs/atom = 69.428000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.720919387074, Press = -0.560941511233849
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -8084.0082   -8084.0082   -8161.0371   -8161.0371    298.10959    298.10959    23341.938    23341.938    1753.0895    1753.0895 
   74000   -8077.6734   -8077.6734   -8158.2141   -8158.2141    311.70067    311.70067    23365.628    23365.628    649.18092    649.18092 
Loop time of 17.584 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.914 ns/day, 4.884 hours/ns, 56.870 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.378     | 17.378     | 17.378     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040858   | 0.040858   | 0.040858   |   0.0 |  0.23
Output  | 8.6204e-05 | 8.6204e-05 | 8.6204e-05 |   0.0 |  0.00
Modify  | 0.14408    | 0.14408    | 0.14408    |   0.0 |  0.82
Other   |            | 0.02122    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139074.0 ave      139074 max      139074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139074
Ave neighs/atom = 69.537000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.695261975693, Press = -1.6956952816658
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -8077.6734   -8077.6734   -8158.2141   -8158.2141    311.70067    311.70067    23365.628    23365.628    649.18092    649.18092 
   75000   -8080.1181   -8080.1181   -8159.2747   -8159.2747    306.34426    306.34426    23402.033    23402.033   -1836.0147   -1836.0147 
Loop time of 17.565 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.919 ns/day, 4.879 hours/ns, 56.931 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.358     | 17.358     | 17.358     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040917   | 0.040917   | 0.040917   |   0.0 |  0.23
Output  | 8.0754e-05 | 8.0754e-05 | 8.0754e-05 |   0.0 |  0.00
Modify  | 0.14464    | 0.14464    | 0.14464    |   0.0 |  0.82
Other   |            | 0.02131    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138995.0 ave      138995 max      138995 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138995
Ave neighs/atom = 69.497500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.681318003513, Press = -1.01901467903088
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -8080.1181   -8080.1181   -8159.2747   -8159.2747    306.34426    306.34426    23402.033    23402.033   -1836.0147   -1836.0147 
   76000   -8077.7144   -8077.7144   -8160.9098   -8160.9098    321.97497    321.97497    23358.002    23358.002    1155.5258    1155.5258 
Loop time of 17.5187 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.082 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.314     | 17.314     | 17.314     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040571   | 0.040571   | 0.040571   |   0.0 |  0.23
Output  | 7.7831e-05 | 7.7831e-05 | 7.7831e-05 |   0.0 |  0.00
Modify  | 0.14294    | 0.14294    | 0.14294    |   0.0 |  0.82
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138704.0 ave      138704 max      138704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138704
Ave neighs/atom = 69.352000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.684410455875, Press = -0.438252442081349
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -8077.7144   -8077.7144   -8160.9098   -8160.9098    321.97497    321.97497    23358.002    23358.002    1155.5258    1155.5258 
   77000    -8080.528    -8080.528   -8160.2038   -8160.2038    308.35357    308.35357    23339.134    23339.134    2351.6801    2351.6801 
Loop time of 17.5348 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.927 ns/day, 4.871 hours/ns, 57.029 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.33      | 17.33      | 17.33      |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040768   | 0.040768   | 0.040768   |   0.0 |  0.23
Output  | 5.9404e-05 | 5.9404e-05 | 5.9404e-05 |   0.0 |  0.00
Modify  | 0.14299    | 0.14299    | 0.14299    |   0.0 |  0.82
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138875.0 ave      138875 max      138875 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138875
Ave neighs/atom = 69.437500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.646036836399, Press = -1.64039947809255
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000    -8080.528    -8080.528   -8160.2038   -8160.2038    308.35357    308.35357    23339.134    23339.134    2351.6801    2351.6801 
   78000   -8079.2973   -8079.2973   -8158.8921   -8158.8921    308.04006    308.04006    23420.223    23420.223   -2945.1594   -2945.1594 
Loop time of 17.541 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.873 hours/ns, 57.009 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.337     | 17.337     | 17.337     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040659   | 0.040659   | 0.040659   |   0.0 |  0.23
Output  | 7.9027e-05 | 7.9027e-05 | 7.9027e-05 |   0.0 |  0.00
Modify  | 0.1429     | 0.1429     | 0.1429     |   0.0 |  0.81
Other   |            | 0.02082    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138939.0 ave      138939 max      138939 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138939
Ave neighs/atom = 69.469500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.641309786495, Press = -2.427163178068
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -8079.2973   -8079.2973   -8158.8921   -8158.8921    308.04006    308.04006    23420.223    23420.223   -2945.1594   -2945.1594 
   79000   -8072.7027   -8072.7027   -8157.1385   -8157.1385    326.77546    326.77546    23405.847    23405.847   -1306.5007   -1306.5007 
Loop time of 17.5337 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.033 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.329     | 17.329     | 17.329     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040492   | 0.040492   | 0.040492   |   0.0 |  0.23
Output  | 5.8201e-05 | 5.8201e-05 | 5.8201e-05 |   0.0 |  0.00
Modify  | 0.14301    | 0.14301    | 0.14301    |   0.0 |  0.82
Other   |            | 0.02078    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138694.0 ave      138694 max      138694 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138694
Ave neighs/atom = 69.347000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.66630412442, Press = 0.313991433564547
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -8072.7027   -8072.7027   -8157.1385   -8157.1385    326.77546    326.77546    23405.847    23405.847   -1306.5007   -1306.5007 
   80000   -8079.6328   -8079.6328    -8158.267    -8158.267    304.32257    304.32257    23348.938    23348.938    1931.5522    1931.5522 
Loop time of 17.5138 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.098 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.309     | 17.309     | 17.309     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040899   | 0.040899   | 0.040899   |   0.0 |  0.23
Output  | 7.1686e-05 | 7.1686e-05 | 7.1686e-05 |   0.0 |  0.00
Modify  | 0.14304    | 0.14304    | 0.14304    |   0.0 |  0.82
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138706.0 ave      138706 max      138706 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138706
Ave neighs/atom = 69.353000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.691242994374, Press = -1.15849805757956
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -8079.6328   -8079.6328    -8158.267    -8158.267    304.32257    304.32257    23348.938    23348.938    1931.5522    1931.5522 
   81000   -8078.4486   -8078.4486   -8159.7277   -8159.7277    314.55874    314.55874    23376.815    23376.815    132.77914    132.77914 
Loop time of 17.5047 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.127 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040658   | 0.040658   | 0.040658   |   0.0 |  0.23
Output  | 5.8198e-05 | 5.8198e-05 | 5.8198e-05 |   0.0 |  0.00
Modify  | 0.14316    | 0.14316    | 0.14316    |   0.0 |  0.82
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139096.0 ave      139096 max      139096 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139096
Ave neighs/atom = 69.548000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.720376103867, Press = -1.61328939967052
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -8078.4486   -8078.4486   -8159.7277   -8159.7277    314.55874    314.55874    23376.815    23376.815    132.77914    132.77914 
   82000   -8080.3207   -8080.3207    -8160.873    -8160.873    311.74557    311.74557    23379.834    23379.834   -414.86036   -414.86036 
Loop time of 17.5269 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.869 hours/ns, 57.055 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.322     | 17.322     | 17.322     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04077    | 0.04077    | 0.04077    |   0.0 |  0.23
Output  | 7.4033e-05 | 7.4033e-05 | 7.4033e-05 |   0.0 |  0.00
Modify  | 0.14323    | 0.14323    | 0.14323    |   0.0 |  0.82
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138806.0 ave      138806 max      138806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138806
Ave neighs/atom = 69.403000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.750161745678, Press = -1.16593729319066
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -8080.3207   -8080.3207    -8160.873    -8160.873    311.74557    311.74557    23379.834    23379.834   -414.86036   -414.86036 
   83000   -8074.2397   -8074.2397   -8157.6821   -8157.6821    322.93059    322.93059    23371.889    23371.889    513.42482    513.42482 
Loop time of 17.5129 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.865 hours/ns, 57.101 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04059    | 0.04059    | 0.04059    |   0.0 |  0.23
Output  | 5.6151e-05 | 5.6151e-05 | 5.6151e-05 |   0.0 |  0.00
Modify  | 0.14295    | 0.14295    | 0.14295    |   0.0 |  0.82
Other   |            | 0.02078    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138734.0 ave      138734 max      138734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138734
Ave neighs/atom = 69.367000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.758543659335, Press = -1.32953863310752
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -8074.2397   -8074.2397   -8157.6821   -8157.6821    322.93059    322.93059    23371.889    23371.889    513.42482    513.42482 
   84000    -8078.464    -8078.464   -8158.6793   -8158.6793    310.44152    310.44152    23392.774    23392.774   -1201.5629   -1201.5629 
Loop time of 17.5321 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.038 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.328     | 17.328     | 17.328     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040465   | 0.040465   | 0.040465   |   0.0 |  0.23
Output  | 8.9973e-05 | 8.9973e-05 | 8.9973e-05 |   0.0 |  0.00
Modify  | 0.14287    | 0.14287    | 0.14287    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139049.0 ave      139049 max      139049 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139049
Ave neighs/atom = 69.524500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.796858308058, Press = -1.96373091588736
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000    -8078.464    -8078.464   -8158.6793   -8158.6793    310.44152    310.44152    23392.774    23392.774   -1201.5629   -1201.5629 
   85000   -8077.6078   -8077.6078   -8159.1508   -8159.1508    315.57956    315.57956    23398.743    23398.743   -1491.8532   -1491.8532 
Loop time of 17.531 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.042 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.327     | 17.327     | 17.327     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040276   | 0.040276   | 0.040276   |   0.0 |  0.23
Output  | 5.4446e-05 | 5.4446e-05 | 5.4446e-05 |   0.0 |  0.00
Modify  | 0.14319    | 0.14319    | 0.14319    |   0.0 |  0.82
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138762.0 ave      138762 max      138762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138762
Ave neighs/atom = 69.381000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.797769217531, Press = -0.365462371965464
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -8077.6078   -8077.6078   -8159.1508   -8159.1508    315.57956    315.57956    23398.743    23398.743   -1491.8532   -1491.8532 
   86000   -8081.0906   -8081.0906   -8159.7174   -8159.7174    304.29378    304.29378    23332.705    23332.705    3086.2438    3086.2438 
Loop time of 17.5181 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.084 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.314     | 17.314     | 17.314     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040531   | 0.040531   | 0.040531   |   0.0 |  0.23
Output  | 6.2632e-05 | 6.2632e-05 | 6.2632e-05 |   0.0 |  0.00
Modify  | 0.14294    | 0.14294    | 0.14294    |   0.0 |  0.82
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138702.0 ave      138702 max      138702 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138702
Ave neighs/atom = 69.351000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.782417894347, Press = -0.791169244112858
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -8081.0906   -8081.0906   -8159.7174   -8159.7174    304.29378    304.29378    23332.705    23332.705    3086.2438    3086.2438 
   87000   -8075.9595   -8075.9595   -8157.1514   -8157.1514    314.22115    314.22115    23376.969    23376.969   -54.276677   -54.276677 
Loop time of 17.5511 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.923 ns/day, 4.875 hours/ns, 56.976 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.343     | 17.343     | 17.343     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040906   | 0.040906   | 0.040906   |   0.0 |  0.23
Output  | 8.8718e-05 | 8.8718e-05 | 8.8718e-05 |   0.0 |  0.00
Modify  | 0.14549    | 0.14549    | 0.14549    |   0.0 |  0.83
Other   |            | 0.02175    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139034.0 ave      139034 max      139034 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139034
Ave neighs/atom = 69.517000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.761769334929, Press = -2.2420502245728
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -8075.9595   -8075.9595   -8157.1514   -8157.1514    314.22115    314.22115    23376.969    23376.969   -54.276677   -54.276677 
   88000   -8080.9995   -8080.9995   -8160.3137   -8160.3137    306.95412    306.95412    23396.669    23396.669   -1480.1253   -1480.1253 
Loop time of 17.5705 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.917 ns/day, 4.881 hours/ns, 56.914 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.362     | 17.362     | 17.362     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040976   | 0.040976   | 0.040976   |   0.0 |  0.23
Output  | 0.00016424 | 0.00016424 | 0.00016424 |   0.0 |  0.00
Modify  | 0.1449     | 0.1449     | 0.1449     |   0.0 |  0.82
Other   |            | 0.02223    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5439.00 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138920.0 ave      138920 max      138920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138920
Ave neighs/atom = 69.460000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.753882517872, Press = -1.06447916938146
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -8080.9995   -8080.9995   -8160.3137   -8160.3137    306.95412    306.95412    23396.669    23396.669   -1480.1253   -1480.1253 
   89000   -8077.7873   -8077.7873   -8159.9196   -8159.9196    317.86069    317.86069    23383.015    23383.015   -544.91329   -544.91329 
Loop time of 17.6096 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.906 ns/day, 4.892 hours/ns, 56.787 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.4       | 17.4       | 17.4       |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041044   | 0.041044   | 0.041044   |   0.0 |  0.23
Output  | 8.6257e-05 | 8.6257e-05 | 8.6257e-05 |   0.0 |  0.00
Modify  | 0.14618    | 0.14618    | 0.14618    |   0.0 |  0.83
Other   |            | 0.02247    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138792.0 ave      138792 max      138792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138792
Ave neighs/atom = 69.396000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.762341981578, Press = -0.804170446521976
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -8077.7873   -8077.7873   -8159.9196   -8159.9196    317.86069    317.86069    23383.015    23383.015   -544.91329   -544.91329 
   90000   -8079.5589   -8079.5589    -8159.536    -8159.536    309.51954    309.51954    23361.152    23361.152    961.32475    961.32475 
Loop time of 17.6309 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.900 ns/day, 4.897 hours/ns, 56.719 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.419     | 17.419     | 17.419     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041483   | 0.041483   | 0.041483   |   0.0 |  0.24
Output  | 8.9345e-05 | 8.9345e-05 | 8.9345e-05 |   0.0 |  0.00
Modify  | 0.14749    | 0.14749    | 0.14749    |   0.0 |  0.84
Other   |            | 0.02279    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138826.0 ave      138826 max      138826 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138826
Ave neighs/atom = 69.413000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.735352316953, Press = -1.27899410828578
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -8079.5589   -8079.5589    -8159.536    -8159.536    309.51954    309.51954    23361.152    23361.152    961.32475    961.32475 
   91000   -8079.7207   -8079.7207   -8159.9452   -8159.9452    310.47703    310.47703    23389.117    23389.117   -1354.5176   -1354.5176 
Loop time of 17.5477 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.988 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.342     | 17.342     | 17.342     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040688   | 0.040688   | 0.040688   |   0.0 |  0.23
Output  | 0.00019433 | 0.00019433 | 0.00019433 |   0.0 |  0.00
Modify  | 0.143      | 0.143      | 0.143      |   0.0 |  0.81
Other   |            | 0.02151    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138972.0 ave      138972 max      138972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138972
Ave neighs/atom = 69.486000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.731841960843, Press = -1.71333608852324
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -8079.7207   -8079.7207   -8159.9452   -8159.9452    310.47703    310.47703    23389.117    23389.117   -1354.5176   -1354.5176 
   92000   -8075.4542   -8075.4542   -8157.8956   -8157.8956    319.05669    319.05669    23432.028    23432.028   -3710.2525   -3710.2525 
Loop time of 17.5487 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.923 ns/day, 4.875 hours/ns, 56.984 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.342     | 17.342     | 17.342     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040768   | 0.040768   | 0.040768   |   0.0 |  0.23
Output  | 8.1468e-05 | 8.1468e-05 | 8.1468e-05 |   0.0 |  0.00
Modify  | 0.14427    | 0.14427    | 0.14427    |   0.0 |  0.82
Other   |            | 0.02204    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138792.0 ave      138792 max      138792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138792
Ave neighs/atom = 69.396000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.719196142359, Press = -0.0397226379137636
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -8075.4542   -8075.4542   -8157.8956   -8157.8956    319.05669    319.05669    23432.028    23432.028   -3710.2525   -3710.2525 
   93000   -8080.4454   -8080.4454   -8159.9935   -8159.9935    307.85936    307.85936    23345.131    23345.131    1855.8715    1855.8715 
Loop time of 17.5642 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.919 ns/day, 4.879 hours/ns, 56.934 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.356     | 17.356     | 17.356     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040909   | 0.040909   | 0.040909   |   0.0 |  0.23
Output  | 9.3448e-05 | 9.3448e-05 | 9.3448e-05 |   0.0 |  0.00
Modify  | 0.14469    | 0.14469    | 0.14469    |   0.0 |  0.82
Other   |            | 0.02229    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138712.0 ave      138712 max      138712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138712
Ave neighs/atom = 69.356000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.703154471464, Press = -0.27844111398885
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -8080.4454   -8080.4454   -8159.9935   -8159.9935    307.85936    307.85936    23345.131    23345.131    1855.8715    1855.8715 
   94000   -8077.1607   -8077.1607   -8159.2359   -8159.2359    317.63944    317.63944     23379.58     23379.58   -81.750084   -81.750084 
Loop time of 17.5486 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.923 ns/day, 4.875 hours/ns, 56.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.342     | 17.342     | 17.342     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040646   | 0.040646   | 0.040646   |   0.0 |  0.23
Output  | 0.0002047  | 0.0002047  | 0.0002047  |   0.0 |  0.00
Modify  | 0.14359    | 0.14359    | 0.14359    |   0.0 |  0.82
Other   |            | 0.02178    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138900.0 ave      138900 max      138900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138900
Ave neighs/atom = 69.450000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.688952430842, Press = -1.33400525656787
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -8077.1607   -8077.1607   -8159.2359   -8159.2359    317.63944    317.63944     23379.58     23379.58   -81.750084   -81.750084 
   95000   -8079.6135   -8079.6135    -8157.739    -8157.739     302.3539     302.3539    23389.989    23389.989   -701.31991   -701.31991 
Loop time of 17.5596 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.920 ns/day, 4.878 hours/ns, 56.949 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.353     | 17.353     | 17.353     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040567   | 0.040567   | 0.040567   |   0.0 |  0.23
Output  | 8.7757e-05 | 8.7757e-05 | 8.7757e-05 |   0.0 |  0.00
Modify  | 0.14367    | 0.14367    | 0.14367    |   0.0 |  0.82
Other   |            | 0.02184    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138947.0 ave      138947 max      138947 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138947
Ave neighs/atom = 69.473500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.682225259852, Press = -1.04450016112064
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -8079.6135   -8079.6135    -8157.739    -8157.739     302.3539     302.3539    23389.989    23389.989   -701.31991   -701.31991 
   96000   -8077.3523   -8077.3523   -8158.6604   -8158.6604    314.67085    314.67085    23357.032    23357.032    1666.7886    1666.7886 
Loop time of 17.5448 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.925 ns/day, 4.874 hours/ns, 56.997 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.337     | 17.337     | 17.337     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040709   | 0.040709   | 0.040709   |   0.0 |  0.23
Output  | 8.8748e-05 | 8.8748e-05 | 8.8748e-05 |   0.0 |  0.00
Modify  | 0.14468    | 0.14468    | 0.14468    |   0.0 |  0.82
Other   |            | 0.02225    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138817.0 ave      138817 max      138817 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138817
Ave neighs/atom = 69.408500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.714079158147, Press = -0.881417407138451
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -8077.3523   -8077.3523   -8158.6604   -8158.6604    314.67085    314.67085    23357.032    23357.032    1666.7886    1666.7886 
   97000   -8079.2308   -8079.2308   -8160.5471   -8160.5471    314.70224    314.70224    23392.614    23392.614   -1145.2404   -1145.2404 
Loop time of 17.5736 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.916 ns/day, 4.882 hours/ns, 56.904 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.366     | 17.366     | 17.366     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040939   | 0.040939   | 0.040939   |   0.0 |  0.23
Output  | 8.7991e-05 | 8.7991e-05 | 8.7991e-05 |   0.0 |  0.00
Modify  | 0.14495    | 0.14495    | 0.14495    |   0.0 |  0.82
Other   |            | 0.0221     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138807.0 ave      138807 max      138807 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138807
Ave neighs/atom = 69.403500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.735204477183, Press = -1.49400803838022
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000   -8079.2308   -8079.2308   -8160.5471   -8160.5471    314.70224    314.70224    23392.614    23392.614   -1145.2404   -1145.2404 
   98000   -8076.3838   -8076.3838   -8157.3752   -8157.3752    313.44505    313.44505    23396.748    23396.748   -1000.0314   -1000.0314 
Loop time of 17.5466 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.991 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.341     | 17.341     | 17.341     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04057    | 0.04057    | 0.04057    |   0.0 |  0.23
Output  | 0.00020742 | 0.00020742 | 0.00020742 |   0.0 |  0.00
Modify  | 0.14318    | 0.14318    | 0.14318    |   0.0 |  0.82
Other   |            | 0.02121    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138751.0 ave      138751 max      138751 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138751
Ave neighs/atom = 69.375500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.768150235869, Press = -0.379457934449527
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000   -8076.3838   -8076.3838   -8157.3752   -8157.3752    313.44505    313.44505    23396.748    23396.748   -1000.0314   -1000.0314 
   99000   -8080.3425   -8080.3425    -8158.986    -8158.986    304.35863    304.35863    23357.026    23357.026      1520.84      1520.84 
Loop time of 17.5232 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.868 hours/ns, 57.067 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.316     | 17.316     | 17.316     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040539   | 0.040539   | 0.040539   |   0.0 |  0.23
Output  | 7.6728e-05 | 7.6728e-05 | 7.6728e-05 |   0.0 |  0.00
Modify  | 0.14447    | 0.14447    | 0.14447    |   0.0 |  0.82
Other   |            | 0.02179    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138777.0 ave      138777 max      138777 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138777
Ave neighs/atom = 69.388500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.779574264826, Press = -0.562732144203882
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000   -8080.3425   -8080.3425    -8158.986    -8158.986    304.35863    304.35863    23357.026    23357.026      1520.84      1520.84 
  100000   -8076.0162   -8076.0162   -8158.7175   -8158.7175     320.0625     320.0625    23367.448    23367.448    935.32386    935.32386 
Loop time of 17.5354 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.927 ns/day, 4.871 hours/ns, 57.028 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.329     | 17.329     | 17.329     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040526   | 0.040526   | 0.040526   |   0.0 |  0.23
Output  | 8.7544e-05 | 8.7544e-05 | 8.7544e-05 |   0.0 |  0.00
Modify  | 0.14437    | 0.14437    | 0.14437    |   0.0 |  0.82
Other   |            | 0.02185    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138980.0 ave      138980 max      138980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138980
Ave neighs/atom = 69.490000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.779881702157, Press = -1.68662811198284
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000   -8076.0162   -8076.0162   -8158.7175   -8158.7175     320.0625     320.0625    23367.448    23367.448    935.32386    935.32386 
  101000   -8078.1497   -8078.1497   -8159.9281   -8159.9281    316.49061    316.49061    23432.699    23432.699   -3444.6746   -3444.6746 
Loop time of 17.5423 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.925 ns/day, 4.873 hours/ns, 57.005 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.338     | 17.338     | 17.338     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040727   | 0.040727   | 0.040727   |   0.0 |  0.23
Output  | 0.0002166  | 0.0002166  | 0.0002166  |   0.0 |  0.00
Modify  | 0.14255    | 0.14255    | 0.14255    |   0.0 |  0.81
Other   |            | 0.02077    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138931.0 ave      138931 max      138931 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138931
Ave neighs/atom = 69.465500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.813835319097, Press = -0.609576714728253
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -8078.1497   -8078.1497   -8159.9281   -8159.9281    316.49061    316.49061    23432.699    23432.699   -3444.6746   -3444.6746 
  102000   -8077.4668   -8077.4668     -8156.18     -8156.18    304.62824    304.62824     23348.84     23348.84    2048.5035    2048.5035 
Loop time of 17.5593 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.920 ns/day, 4.878 hours/ns, 56.950 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.353     | 17.353     | 17.353     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040956   | 0.040956   | 0.040956   |   0.0 |  0.23
Output  | 8.8506e-05 | 8.8506e-05 | 8.8506e-05 |   0.0 |  0.00
Modify  | 0.1441     | 0.1441     | 0.1441     |   0.0 |  0.82
Other   |            | 0.02161    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5438.00 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138493.0 ave      138493 max      138493 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138493
Ave neighs/atom = 69.246500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.815022431341, Press = -0.331918328020734
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -8077.4668   -8077.4668     -8156.18     -8156.18    304.62824    304.62824     23348.84     23348.84    2048.5035    2048.5035 
  103000   -8082.0829   -8082.0829   -8161.9601   -8161.9601    309.13276    309.13276    23377.155    23377.155    -64.23379    -64.23379 
Loop time of 17.5413 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.873 hours/ns, 57.008 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.336     | 17.336     | 17.336     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040813   | 0.040813   | 0.040813   |   0.0 |  0.23
Output  | 0.00019913 | 0.00019913 | 0.00019913 |   0.0 |  0.00
Modify  | 0.14336    | 0.14336    | 0.14336    |   0.0 |  0.82
Other   |            | 0.0213     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139230.0 ave      139230 max      139230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139230
Ave neighs/atom = 69.615000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.803428822064, Press = -1.02007881024442
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  103000   -8082.0829   -8082.0829   -8161.9601   -8161.9601    309.13276    309.13276    23377.155    23377.155    -64.23379    -64.23379 
  104000   -8076.1048   -8076.1048   -8158.3888   -8158.3888    318.44746    318.44746    23387.427    23387.427   -399.98316   -399.98316 
Loop time of 17.5451 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.996 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.339     | 17.339     | 17.339     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040751   | 0.040751   | 0.040751   |   0.0 |  0.23
Output  | 8.7931e-05 | 8.7931e-05 | 8.7931e-05 |   0.0 |  0.00
Modify  | 0.14352    | 0.14352    | 0.14352    |   0.0 |  0.82
Other   |            | 0.02138    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138660.0 ave      138660 max      138660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138660
Ave neighs/atom = 69.330000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.791582115533, Press = -0.58877444577831
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  104000   -8076.1048   -8076.1048   -8158.3888   -8158.3888    318.44746    318.44746    23387.427    23387.427   -399.98316   -399.98316 
  105000   -8076.0772   -8076.0772   -8159.5011   -8159.5011    322.85887    322.85887    23370.323    23370.323    752.59743    752.59743 
Loop time of 17.5546 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.922 ns/day, 4.876 hours/ns, 56.965 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.35      | 17.35      | 17.35      |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040841   | 0.040841   | 0.040841   |   0.0 |  0.23
Output  | 0.00010513 | 0.00010513 | 0.00010513 |   0.0 |  0.00
Modify  | 0.14302    | 0.14302    | 0.14302    |   0.0 |  0.81
Other   |            | 0.02114    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138962.0 ave      138962 max      138962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138962
Ave neighs/atom = 69.481000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.776206946093, Press = -0.853960482320849
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  105000   -8076.0772   -8076.0772   -8159.5011   -8159.5011    322.85887    322.85887    23370.323    23370.323    752.59743    752.59743 
  106000   -8079.4613   -8079.4613   -8161.3938   -8161.3938    317.08692    317.08692    23396.853    23396.853   -1127.1856   -1127.1856 
Loop time of 17.5388 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.872 hours/ns, 57.016 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.333     | 17.333     | 17.333     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040868   | 0.040868   | 0.040868   |   0.0 |  0.23
Output  | 0.00010251 | 0.00010251 | 0.00010251 |   0.0 |  0.00
Modify  | 0.1438     | 0.1438     | 0.1438     |   0.0 |  0.82
Other   |            | 0.02137    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138926.0 ave      138926 max      138926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138926
Ave neighs/atom = 69.463000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.764208059112, Press = -1.0763418795482
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  106000   -8079.4613   -8079.4613   -8161.3938   -8161.3938    317.08692    317.08692    23396.853    23396.853   -1127.1856   -1127.1856 
  107000   -8078.5886   -8078.5886   -8160.8799   -8160.8799    318.47598    318.47598    23385.015    23385.015   -578.17238   -578.17238 
Loop time of 17.5887 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.912 ns/day, 4.886 hours/ns, 56.855 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.38      | 17.38      | 17.38      |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04109    | 0.04109    | 0.04109    |   0.0 |  0.23
Output  | 7.4961e-05 | 7.4961e-05 | 7.4961e-05 |   0.0 |  0.00
Modify  | 0.14523    | 0.14523    | 0.14523    |   0.0 |  0.83
Other   |            | 0.02187    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138725.0 ave      138725 max      138725 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138725
Ave neighs/atom = 69.362500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.770421754207, Press = 0.101704316957464
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  107000   -8078.5886   -8078.5886   -8160.8799   -8160.8799    318.47598    318.47598    23385.015    23385.015   -578.17238   -578.17238 
  108000   -8077.4127   -8077.4127   -8158.5671   -8158.5671    314.07588    314.07588    23344.513    23344.513    2577.2386    2577.2386 
Loop time of 17.5291 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.048 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.324     | 17.324     | 17.324     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040726   | 0.040726   | 0.040726   |   0.0 |  0.23
Output  | 0.0001957  | 0.0001957  | 0.0001957  |   0.0 |  0.00
Modify  | 0.14306    | 0.14306    | 0.14306    |   0.0 |  0.82
Other   |            | 0.02132    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138724.0 ave      138724 max      138724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138724
Ave neighs/atom = 69.362000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.745382019923, Press = -0.899137329549608
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  108000   -8077.4127   -8077.4127   -8158.5671   -8158.5671    314.07588    314.07588    23344.513    23344.513    2577.2386    2577.2386 
  109000    -8079.538    -8079.538    -8160.067    -8160.067    311.65539    311.65539    23399.423    23399.423   -1428.3559   -1428.3559 
Loop time of 17.5548 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.922 ns/day, 4.876 hours/ns, 56.964 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.349     | 17.349     | 17.349     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040841   | 0.040841   | 0.040841   |   0.0 |  0.23
Output  | 8.6467e-05 | 8.6467e-05 | 8.6467e-05 |   0.0 |  0.00
Modify  | 0.14371    | 0.14371    | 0.14371    |   0.0 |  0.82
Other   |            | 0.02145    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138987.0 ave      138987 max      138987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138987
Ave neighs/atom = 69.493500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.757677599754, Press = -1.05667744726768
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  109000    -8079.538    -8079.538    -8160.067    -8160.067    311.65539    311.65539    23399.423    23399.423   -1428.3559   -1428.3559 
  110000   -8073.9845   -8073.9845   -8158.6497   -8158.6497    327.66288    327.66288    23392.499    23392.499   -617.32651   -617.32651 
Loop time of 17.5261 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.058 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.321     | 17.321     | 17.321     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040617   | 0.040617   | 0.040617   |   0.0 |  0.23
Output  | 8.4511e-05 | 8.4511e-05 | 8.4511e-05 |   0.0 |  0.00
Modify  | 0.14306    | 0.14306    | 0.14306    |   0.0 |  0.82
Other   |            | 0.02126    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138759.0 ave      138759 max      138759 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138759
Ave neighs/atom = 69.379500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.782760114677, Press = -0.7696633911475
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  110000   -8073.9845   -8073.9845   -8158.6497   -8158.6497    327.66288    327.66288    23392.499    23392.499   -617.32651   -617.32651 
  111000   -8076.6335   -8076.6335   -8157.6756   -8157.6756    313.64108    313.64108    23369.915    23369.915    465.03378    465.03378 
Loop time of 17.5989 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.909 ns/day, 4.889 hours/ns, 56.822 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.392     | 17.392     | 17.392     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040922   | 0.040922   | 0.040922   |   0.0 |  0.23
Output  | 0.00010316 | 0.00010316 | 0.00010316 |   0.0 |  0.00
Modify  | 0.14424    | 0.14424    | 0.14424    |   0.0 |  0.82
Other   |            | 0.02161    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138801.0 ave      138801 max      138801 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138801
Ave neighs/atom = 69.400500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.791625149921, Press = -0.847936852703263
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  111000   -8076.6335   -8076.6335   -8157.6756   -8157.6756    313.64108    313.64108    23369.915    23369.915    465.03378    465.03378 
  112000   -8079.7267   -8079.7267   -8159.3588   -8159.3588    308.18419    308.18419     23384.07     23384.07   -527.33916   -527.33916 
Loop time of 17.6279 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.901 ns/day, 4.897 hours/ns, 56.728 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.417     | 17.417     | 17.417     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041212   | 0.041212   | 0.041212   |   0.0 |  0.23
Output  | 8.7472e-05 | 8.7472e-05 | 8.7472e-05 |   0.0 |  0.00
Modify  | 0.14693    | 0.14693    | 0.14693    |   0.0 |  0.83
Other   |            | 0.02234    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139101.0 ave      139101 max      139101 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139101
Ave neighs/atom = 69.550500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.771932032189, Press = -0.723152033940709
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  112000   -8079.7267   -8079.7267   -8159.3588   -8159.3588    308.18419    308.18419     23384.07     23384.07   -527.33916   -527.33916 
  113000   -8077.3434   -8077.3434   -8158.0042   -8158.0042    312.16582    312.16582    23375.794    23375.794    10.751764    10.751764 
Loop time of 17.5578 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.921 ns/day, 4.877 hours/ns, 56.955 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.352     | 17.352     | 17.352     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040647   | 0.040647   | 0.040647   |   0.0 |  0.23
Output  | 0.00019435 | 0.00019435 | 0.00019435 |   0.0 |  0.00
Modify  | 0.14343    | 0.14343    | 0.14343    |   0.0 |  0.82
Other   |            | 0.0214     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138853.0 ave      138853 max      138853 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138853
Ave neighs/atom = 69.426500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.762814809377, Press = -0.94325175471953
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  113000   -8077.3434   -8077.3434   -8158.0042   -8158.0042    312.16582    312.16582    23375.794    23375.794    10.751764    10.751764 
  114000   -8075.4673   -8075.4673   -8157.1254   -8157.1254    316.02555    316.02555    23398.988    23398.988   -1216.0629   -1216.0629 
Loop time of 17.5641 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.919 ns/day, 4.879 hours/ns, 56.934 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.359     | 17.359     | 17.359     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040627   | 0.040627   | 0.040627   |   0.0 |  0.23
Output  | 8.6266e-05 | 8.6266e-05 | 8.6266e-05 |   0.0 |  0.00
Modify  | 0.14328    | 0.14328    | 0.14328    |   0.0 |  0.82
Other   |            | 0.02126    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138890.0 ave      138890 max      138890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138890
Ave neighs/atom = 69.445000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.754279545431, Press = -1.15903158216535
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  114000   -8075.4673   -8075.4673   -8157.1254   -8157.1254    316.02555    316.02555    23398.988    23398.988   -1216.0629   -1216.0629 
  115000   -8079.4533   -8079.4533   -8160.4534   -8160.4534    313.47875    313.47875     23373.91     23373.91      153.399      153.399 
Loop time of 17.5667 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.918 ns/day, 4.880 hours/ns, 56.926 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.358     | 17.358     | 17.358     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040595   | 0.040595   | 0.040595   |   0.0 |  0.23
Output  | 7.3607e-05 | 7.3607e-05 | 7.3607e-05 |   0.0 |  0.00
Modify  | 0.1457     | 0.1457     | 0.1457     |   0.0 |  0.83
Other   |            | 0.02198    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5427.00 ave        5427 max        5427 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138931.0 ave      138931 max      138931 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138931
Ave neighs/atom = 69.465500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.77448883736, Press = -0.15469211745532
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  115000   -8079.4533   -8079.4533   -8160.4534   -8160.4534    313.47875    313.47875     23373.91     23373.91      153.399      153.399 
  116000   -8072.3195   -8072.3195   -8154.5356   -8154.5356    318.18469    318.18469    23343.441    23343.441    3103.0919    3103.0919 
Loop time of 17.5565 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.921 ns/day, 4.877 hours/ns, 56.959 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.35      | 17.35      | 17.35      |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040615   | 0.040615   | 0.040615   |   0.0 |  0.23
Output  | 8.4099e-05 | 8.4099e-05 | 8.4099e-05 |   0.0 |  0.00
Modify  | 0.14425    | 0.14425    | 0.14425    |   0.0 |  0.82
Other   |            | 0.02141    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5462.00 ave        5462 max        5462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138922.0 ave      138922 max      138922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138922
Ave neighs/atom = 69.461000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.794515498886, Press = -1.41307439096241
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  116000   -8072.3195   -8072.3195   -8154.5356   -8154.5356    318.18469    318.18469    23343.441    23343.441    3103.0919    3103.0919 
  117000   -8079.5192   -8079.5192   -8160.7661   -8160.7661    314.43393    314.43393    23444.681    23444.681   -4616.0718   -4616.0718 
Loop time of 17.6449 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.897 ns/day, 4.901 hours/ns, 56.674 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.435     | 17.435     | 17.435     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041129   | 0.041129   | 0.041129   |   0.0 |  0.23
Output  | 7.5792e-05 | 7.5792e-05 | 7.5792e-05 |   0.0 |  0.00
Modify  | 0.14682    | 0.14682    | 0.14682    |   0.0 |  0.83
Other   |            | 0.02205    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139364.0 ave      139364 max      139364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139364
Ave neighs/atom = 69.682000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.814125620871, Press = -1.06416020483269
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  117000   -8079.5192   -8079.5192   -8160.7661   -8160.7661    314.43393    314.43393    23444.681    23444.681   -4616.0718   -4616.0718 
  118000   -8074.4674   -8074.4674   -8157.2767   -8157.2767    320.48071    320.48071    23366.441    23366.441    939.05247    939.05247 
Loop time of 17.5267 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.869 hours/ns, 57.056 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.321     | 17.321     | 17.321     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040686   | 0.040686   | 0.040686   |   0.0 |  0.23
Output  | 9.6037e-05 | 9.6037e-05 | 9.6037e-05 |   0.0 |  0.00
Modify  | 0.14389    | 0.14389    | 0.14389    |   0.0 |  0.82
Other   |            | 0.02097    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138359.0 ave      138359 max      138359 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138359
Ave neighs/atom = 69.179500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.83889311787, Press = -0.310233415495095
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  118000   -8074.4674   -8074.4674   -8157.2767   -8157.2767    320.48071    320.48071    23366.441    23366.441    939.05247    939.05247 
  119000   -8077.7017   -8077.7017   -8159.0307   -8159.0307    314.75169    314.75169    23372.448    23372.448    386.05348    386.05348 
Loop time of 17.5577 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.921 ns/day, 4.877 hours/ns, 56.955 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.352     | 17.352     | 17.352     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040742   | 0.040742   | 0.040742   |   0.0 |  0.23
Output  | 9.0019e-05 | 9.0019e-05 | 9.0019e-05 |   0.0 |  0.00
Modify  | 0.1439     | 0.1439     | 0.1439     |   0.0 |  0.82
Other   |            | 0.02115    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139214.0 ave      139214 max      139214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139214
Ave neighs/atom = 69.607000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.839429606856, Press = -0.891240494821367
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  119000   -8077.7017   -8077.7017   -8159.0307   -8159.0307    314.75169    314.75169    23372.448    23372.448    386.05348    386.05348 
  120000   -8078.5895   -8078.5895   -8160.5848   -8160.5848    317.33037    317.33037    23380.936    23380.936   -371.67699   -371.67699 
Loop time of 17.5563 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.921 ns/day, 4.877 hours/ns, 56.960 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.351     | 17.351     | 17.351     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040605   | 0.040605   | 0.040605   |   0.0 |  0.23
Output  | 0.00020413 | 0.00020413 | 0.00020413 |   0.0 |  0.00
Modify  | 0.14333    | 0.14333    | 0.14333    |   0.0 |  0.82
Other   |            | 0.02094    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139051.0 ave      139051 max      139051 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139051
Ave neighs/atom = 69.525500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.845906395817, Press = -0.714010814458007
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  120000   -8078.5895   -8078.5895   -8160.5848   -8160.5848    317.33037    317.33037    23380.936    23380.936   -371.67699   -371.67699 
  121000   -8077.6762   -8077.6762   -8159.5331   -8159.5331    316.79471    316.79471    23363.689    23363.689    785.77905    785.77905 
Loop time of 17.59 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.912 ns/day, 4.886 hours/ns, 56.850 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.384     | 17.384     | 17.384     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040743   | 0.040743   | 0.040743   |   0.0 |  0.23
Output  | 9.5831e-05 | 9.5831e-05 | 9.5831e-05 |   0.0 |  0.00
Modify  | 0.14387    | 0.14387    | 0.14387    |   0.0 |  0.82
Other   |            | 0.02143    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138795.0 ave      138795 max      138795 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138795
Ave neighs/atom = 69.397500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.852111902589, Press = -0.653800209960529
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  121000   -8077.6762   -8077.6762   -8159.5331   -8159.5331    316.79471    316.79471    23363.689    23363.689    785.77905    785.77905 
  122000   -8078.4701   -8078.4701   -8159.8698   -8159.8698    315.02522    315.02522    23358.848    23358.848    1164.3355    1164.3355 
Loop time of 17.5757 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.916 ns/day, 4.882 hours/ns, 56.897 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.37      | 17.37      | 17.37      |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040951   | 0.040951   | 0.040951   |   0.0 |  0.23
Output  | 9.1417e-05 | 9.1417e-05 | 9.1417e-05 |   0.0 |  0.00
Modify  | 0.14316    | 0.14316    | 0.14316    |   0.0 |  0.81
Other   |            | 0.02103    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139035.0 ave      139035 max      139035 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139035
Ave neighs/atom = 69.517500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.839512311573, Press = -1.11950047984126
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  122000   -8078.4701   -8078.4701   -8159.8698   -8159.8698    315.02522    315.02522    23358.848    23358.848    1164.3355    1164.3355 
  123000   -8079.5051   -8079.5051   -8159.2074   -8159.2074    308.45608    308.45608    23407.263    23407.263   -1883.7816   -1883.7816 
Loop time of 17.5747 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.916 ns/day, 4.882 hours/ns, 56.900 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.368     | 17.368     | 17.368     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040819   | 0.040819   | 0.040819   |   0.0 |  0.23
Output  | 6.4031e-05 | 6.4031e-05 | 6.4031e-05 |   0.0 |  0.00
Modify  | 0.14405    | 0.14405    | 0.14405    |   0.0 |  0.82
Other   |            | 0.02145    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138968.0 ave      138968 max      138968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138968
Ave neighs/atom = 69.484000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.821598572932, Press = -1.06616712961252
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  123000   -8079.5051   -8079.5051   -8159.2074   -8159.2074    308.45608    308.45608    23407.263    23407.263   -1883.7816   -1883.7816 
  124000   -8077.4983   -8077.4983   -8157.4388   -8157.4388    309.37775    309.37775    23385.834    23385.834   -394.94135   -394.94135 
Loop time of 17.5328 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.036 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.329     | 17.329     | 17.329     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040675   | 0.040675   | 0.040675   |   0.0 |  0.23
Output  | 6.4257e-05 | 6.4257e-05 | 6.4257e-05 |   0.0 |  0.00
Modify  | 0.1426     | 0.1426     | 0.1426     |   0.0 |  0.81
Other   |            | 0.02074    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138882.0 ave      138882 max      138882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138882
Ave neighs/atom = 69.441000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.819134231243, Press = -0.137303133335188
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  124000   -8077.4983   -8077.4983   -8157.4388   -8157.4388    309.37775    309.37775    23385.834    23385.834   -394.94135   -394.94135 
  125000   -8078.7608   -8078.7608   -8160.6954   -8160.6954    317.09532    317.09532    23322.353    23322.353    3662.1058    3662.1058 
Loop time of 17.5629 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.919 ns/day, 4.879 hours/ns, 56.938 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.359     | 17.359     | 17.359     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040529   | 0.040529   | 0.040529   |   0.0 |  0.23
Output  | 0.00015403 | 0.00015403 | 0.00015403 |   0.0 |  0.00
Modify  | 0.14244    | 0.14244    | 0.14244    |   0.0 |  0.81
Other   |            | 0.02073    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138859.0 ave      138859 max      138859 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138859
Ave neighs/atom = 69.429500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.816919934524, Press = -0.670585436385675
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  125000   -8078.7608   -8078.7608   -8160.6954   -8160.6954    317.09532    317.09532    23322.353    23322.353    3662.1058    3662.1058 
  126000   -8074.8064   -8074.8064   -8156.7093   -8156.7093    316.97289    316.97289    23397.879    23397.879   -1266.9819   -1266.9819 
Loop time of 17.5195 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.867 hours/ns, 57.079 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.316     | 17.316     | 17.316     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040668   | 0.040668   | 0.040668   |   0.0 |  0.23
Output  | 6.4374e-05 | 6.4374e-05 | 6.4374e-05 |   0.0 |  0.00
Modify  | 0.14244    | 0.14244    | 0.14244    |   0.0 |  0.81
Other   |            | 0.0208     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139107.0 ave      139107 max      139107 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139107
Ave neighs/atom = 69.553500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.83629625979, Press = -1.17675820712759
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  126000   -8074.8064   -8074.8064   -8156.7093   -8156.7093    316.97289    316.97289    23397.879    23397.879   -1266.9819   -1266.9819 
  127000   -8078.7923   -8078.7923   -8159.1416   -8159.1416    310.96005    310.96005    23387.921    23387.921   -823.33119   -823.33119 
Loop time of 17.5539 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.922 ns/day, 4.876 hours/ns, 56.967 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.35      | 17.35      | 17.35      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040562   | 0.040562   | 0.040562   |   0.0 |  0.23
Output  | 7.6554e-05 | 7.6554e-05 | 7.6554e-05 |   0.0 |  0.00
Modify  | 0.14252    | 0.14252    | 0.14252    |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5431.00 ave        5431 max        5431 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138914.0 ave      138914 max      138914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138914
Ave neighs/atom = 69.457000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.849254865684, Press = -0.554445705125763
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  127000   -8078.7923   -8078.7923   -8159.1416   -8159.1416    310.96005    310.96005    23387.921    23387.921   -823.33119   -823.33119 
  128000   -8076.0079   -8076.0079   -8157.6289   -8157.6289    315.88191    315.88191    23358.472    23358.472    1410.4696    1410.4696 
Loop time of 17.545 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.996 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.341     | 17.341     | 17.341     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040398   | 0.040398   | 0.040398   |   0.0 |  0.23
Output  | 7.6681e-05 | 7.6681e-05 | 7.6681e-05 |   0.0 |  0.00
Modify  | 0.1424     | 0.1424     | 0.1424     |   0.0 |  0.81
Other   |            | 0.02067    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5418.00 ave        5418 max        5418 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138717.0 ave      138717 max      138717 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138717
Ave neighs/atom = 69.358500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.87731218755, Press = -0.526077671852031
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  128000   -8076.0079   -8076.0079   -8157.6289   -8157.6289    315.88191    315.88191    23358.472    23358.472    1410.4696    1410.4696 
  129000    -8076.526    -8076.526   -8158.3477   -8158.3477    316.65826    316.65826    23360.249    23360.249    1092.2615    1092.2615 
Loop time of 17.5633 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.919 ns/day, 4.879 hours/ns, 56.937 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.36      | 17.36      | 17.36      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040384   | 0.040384   | 0.040384   |   0.0 |  0.23
Output  | 5.1383e-05 | 5.1383e-05 | 5.1383e-05 |   0.0 |  0.00
Modify  | 0.14249    | 0.14249    | 0.14249    |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139283.0 ave      139283 max      139283 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139283
Ave neighs/atom = 69.641500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.885290985206, Press = -0.942808481537433
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  129000    -8076.526    -8076.526   -8158.3477   -8158.3477    316.65826    316.65826    23360.249    23360.249    1092.2615    1092.2615 
  130000   -8082.8896   -8082.8896   -8161.1274   -8161.1274    302.78846    302.78846    23408.866    23408.866   -2746.8329   -2746.8329 
Loop time of 17.5273 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.054 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.323     | 17.323     | 17.323     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040596   | 0.040596   | 0.040596   |   0.0 |  0.23
Output  | 7.6076e-05 | 7.6076e-05 | 7.6076e-05 |   0.0 |  0.00
Modify  | 0.14263    | 0.14263    | 0.14263    |   0.0 |  0.81
Other   |            | 0.02073    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138908.0 ave      138908 max      138908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138908
Ave neighs/atom = 69.454000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.875739889548, Press = -0.871257776471421
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  130000   -8082.8896   -8082.8896   -8161.1274   -8161.1274    302.78846    302.78846    23408.866    23408.866   -2746.8329   -2746.8329 
  131000   -8077.7221   -8077.7221   -8156.8241   -8156.8241    306.13286    306.13286    23367.374    23367.374    456.61608    456.61608 
Loop time of 17.5453 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.995 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.341     | 17.341     | 17.341     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040588   | 0.040588   | 0.040588   |   0.0 |  0.23
Output  | 6.1045e-05 | 6.1045e-05 | 6.1045e-05 |   0.0 |  0.00
Modify  | 0.14244    | 0.14244    | 0.14244    |   0.0 |  0.81
Other   |            | 0.02072    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138700.0 ave      138700 max      138700 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138700
Ave neighs/atom = 69.350000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.858823528021, Press = 0.0484797929284066
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  131000   -8077.7221   -8077.7221   -8156.8241   -8156.8241    306.13286    306.13286    23367.374    23367.374    456.61608    456.61608 
  132000   -8083.5944   -8083.5944   -8162.6447   -8162.6447    305.93282    305.93282    23332.185    23332.185    2824.2593    2824.2593 
Loop time of 17.5293 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.047 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.326     | 17.326     | 17.326     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040567   | 0.040567   | 0.040567   |   0.0 |  0.23
Output  | 6.0667e-05 | 6.0667e-05 | 6.0667e-05 |   0.0 |  0.00
Modify  | 0.1424     | 0.1424     | 0.1424     |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138933.0 ave      138933 max      138933 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138933
Ave neighs/atom = 69.466500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.846615110956, Press = -0.945617826445573
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  132000   -8083.5944   -8083.5944   -8162.6447   -8162.6447    305.93282    305.93282    23332.185    23332.185    2824.2593    2824.2593 
  133000   -8076.8343   -8076.8343   -8158.3964   -8158.3964    315.65379    315.65379    23384.343    23384.343   -643.39601   -643.39601 
Loop time of 17.5503 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.923 ns/day, 4.875 hours/ns, 56.979 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.346     | 17.346     | 17.346     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040795   | 0.040795   | 0.040795   |   0.0 |  0.23
Output  | 6.5335e-05 | 6.5335e-05 | 6.5335e-05 |   0.0 |  0.00
Modify  | 0.14243    | 0.14243    | 0.14243    |   0.0 |  0.81
Other   |            | 0.02066    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139015.0 ave      139015 max      139015 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139015
Ave neighs/atom = 69.507500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.839405263083, Press = -0.899826401688721
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  133000   -8076.8343   -8076.8343   -8158.3964   -8158.3964    315.65379    315.65379    23384.343    23384.343   -643.39601   -643.39601 
  134000   -8077.2692   -8077.2692    -8158.551    -8158.551    314.56882    314.56882    23376.218    23376.218    175.06626    175.06626 
Loop time of 17.575 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.916 ns/day, 4.882 hours/ns, 56.899 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.371     | 17.371     | 17.371     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040699   | 0.040699   | 0.040699   |   0.0 |  0.23
Output  | 5.3986e-05 | 5.3986e-05 | 5.3986e-05 |   0.0 |  0.00
Modify  | 0.14247    | 0.14247    | 0.14247    |   0.0 |  0.81
Other   |            | 0.0207     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138857.0 ave      138857 max      138857 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138857
Ave neighs/atom = 69.428500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.843108657236, Press = -0.706849663456561
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  134000   -8077.2692   -8077.2692    -8158.551    -8158.551    314.56882    314.56882    23376.218    23376.218    175.06626    175.06626 
  135000   -8078.1342   -8078.1342   -8157.7749   -8157.7749     308.2179     308.2179    23371.463    23371.463    605.81243    605.81243 
Loop time of 17.5221 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.867 hours/ns, 57.071 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.318     | 17.318     | 17.318     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040655   | 0.040655   | 0.040655   |   0.0 |  0.23
Output  | 5.6545e-05 | 5.6545e-05 | 5.6545e-05 |   0.0 |  0.00
Modify  | 0.14266    | 0.14266    | 0.14266    |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138908.0 ave      138908 max      138908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138908
Ave neighs/atom = 69.454000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.868384077694, Press = -0.681332893497206
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  135000   -8078.1342   -8078.1342   -8157.7749   -8157.7749     308.2179     308.2179    23371.463    23371.463    605.81243    605.81243 
  136000   -8079.2248   -8079.2248   -8160.3044   -8160.3044    313.78647    313.78647    23370.217    23370.217     235.1156     235.1156 
Loop time of 17.5401 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.872 hours/ns, 57.012 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.336     | 17.336     | 17.336     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0409     | 0.0409     | 0.0409     |   0.0 |  0.23
Output  | 6.5314e-05 | 6.5314e-05 | 6.5314e-05 |   0.0 |  0.00
Modify  | 0.14254    | 0.14254    | 0.14254    |   0.0 |  0.81
Other   |            | 0.02069    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138940.0 ave      138940 max      138940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138940
Ave neighs/atom = 69.470000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.885240795212, Press = -0.700852488415555
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  136000   -8079.2248   -8079.2248   -8160.3044   -8160.3044    313.78647    313.78647    23370.217    23370.217     235.1156     235.1156 
  137000   -8079.2886   -8079.2886   -8160.9416   -8160.9416    316.00547    316.00547    23383.516    23383.516   -630.95811   -630.95811 
Loop time of 17.5411 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.873 hours/ns, 57.009 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.337     | 17.337     | 17.337     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040639   | 0.040639   | 0.040639   |   0.0 |  0.23
Output  | 5.3445e-05 | 5.3445e-05 | 5.3445e-05 |   0.0 |  0.00
Modify  | 0.14254    | 0.14254    | 0.14254    |   0.0 |  0.81
Other   |            | 0.02068    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138876.0 ave      138876 max      138876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138876
Ave neighs/atom = 69.438000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.896531378339, Press = -0.862888007255122
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  137000   -8079.2886   -8079.2886   -8160.9416   -8160.9416    316.00547    316.00547    23383.516    23383.516   -630.95811   -630.95811 
  138000   -8077.5617   -8077.5617   -8157.8496   -8157.8496    310.72242    310.72242    23375.236    23375.236    134.46345    134.46345 
Loop time of 17.5487 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.923 ns/day, 4.875 hours/ns, 56.984 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.345     | 17.345     | 17.345     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040465   | 0.040465   | 0.040465   |   0.0 |  0.23
Output  | 4.6516e-05 | 4.6516e-05 | 4.6516e-05 |   0.0 |  0.00
Modify  | 0.1423     | 0.1423     | 0.1423     |   0.0 |  0.81
Other   |            | 0.02068    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138818.0 ave      138818 max      138818 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138818
Ave neighs/atom = 69.409000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.893969781009, Press = -0.67503029063749
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  138000   -8077.5617   -8077.5617   -8157.8496   -8157.8496    310.72242    310.72242    23375.236    23375.236    134.46345    134.46345 
  139000    -8079.269    -8079.269   -8157.1999   -8157.1999    301.60074    301.60074    23354.373    23354.373     1816.603     1816.603 
Loop time of 17.5247 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.062 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.321     | 17.321     | 17.321     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040443   | 0.040443   | 0.040443   |   0.0 |  0.23
Output  | 5.227e-05  | 5.227e-05  | 5.227e-05  |   0.0 |  0.00
Modify  | 0.14273    | 0.14273    | 0.14273    |   0.0 |  0.81
Other   |            | 0.02078    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139011.0 ave      139011 max      139011 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139011
Ave neighs/atom = 69.505500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.915899182023, Press = -0.856736997996122
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  139000    -8079.269    -8079.269   -8157.1999   -8157.1999    301.60074    301.60074    23354.373    23354.373     1816.603     1816.603 
  140000   -8077.2866   -8077.2866   -8158.9142   -8158.9142    315.90716    315.90716    23410.768    23410.768   -2136.1869   -2136.1869 
Loop time of 17.5438 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.925 ns/day, 4.873 hours/ns, 57.000 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.34      | 17.34      | 17.34      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040542   | 0.040542   | 0.040542   |   0.0 |  0.23
Output  | 7.0202e-05 | 7.0202e-05 | 7.0202e-05 |   0.0 |  0.00
Modify  | 0.1426     | 0.1426     | 0.1426     |   0.0 |  0.81
Other   |            | 0.02074    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138998.0 ave      138998 max      138998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138998
Ave neighs/atom = 69.499000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.917208929468, Press = -0.957488819771081
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  140000   -8077.2866   -8077.2866   -8158.9142   -8158.9142    315.90716    315.90716    23410.768    23410.768   -2136.1869   -2136.1869 
  141000   -8078.7906   -8078.7906    -8160.945    -8160.945    317.94623    317.94623    23387.032    23387.032   -556.38965   -556.38965 
Loop time of 17.5436 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.925 ns/day, 4.873 hours/ns, 57.001 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.34      | 17.34      | 17.34      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040666   | 0.040666   | 0.040666   |   0.0 |  0.23
Output  | 4.597e-05  | 4.597e-05  | 4.597e-05  |   0.0 |  0.00
Modify  | 0.14249    | 0.14249    | 0.14249    |   0.0 |  0.81
Other   |            | 0.0207     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138754.0 ave      138754 max      138754 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138754
Ave neighs/atom = 69.377000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.899799106719, Press = -0.319318472139645
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  141000   -8078.7906   -8078.7906    -8160.945    -8160.945    317.94623    317.94623    23387.032    23387.032   -556.38965   -556.38965 
  142000   -8076.2784   -8076.2784   -8157.1707   -8157.1707    313.06168    313.06168    23333.576    23333.576    3129.0736    3129.0736 
Loop time of 17.5445 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.925 ns/day, 4.873 hours/ns, 56.998 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.341     | 17.341     | 17.341     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040703   | 0.040703   | 0.040703   |   0.0 |  0.23
Output  | 5.4356e-05 | 5.4356e-05 | 5.4356e-05 |   0.0 |  0.00
Modify  | 0.14243    | 0.14243    | 0.14243    |   0.0 |  0.81
Other   |            | 0.02069    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138736.0 ave      138736 max      138736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138736
Ave neighs/atom = 69.368000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.905934916902, Press = -0.638518715391102
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  142000   -8076.2784   -8076.2784   -8157.1707   -8157.1707    313.06168    313.06168    23333.576    23333.576    3129.0736    3129.0736 
  143000   -8076.3542   -8076.3542     -8157.78     -8157.78    315.12638    315.12638    23384.314    23384.314   -339.98753   -339.98753 
Loop time of 17.5832 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.914 ns/day, 4.884 hours/ns, 56.872 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.379     | 17.379     | 17.379     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041001   | 0.041001   | 0.041001   |   0.0 |  0.23
Output  | 7.1637e-05 | 7.1637e-05 | 7.1637e-05 |   0.0 |  0.00
Modify  | 0.14238    | 0.14238    | 0.14238    |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139240.0 ave      139240 max      139240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139240
Ave neighs/atom = 69.620000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.897650610891, Press = -1.2260914297449
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  143000   -8076.3542   -8076.3542     -8157.78     -8157.78    315.12638    315.12638    23384.314    23384.314   -339.98753   -339.98753 
  144000   -8082.1597   -8082.1597   -8159.4291   -8159.4291     299.0406     299.0406    23390.085    23390.085   -969.97493   -969.97493 
Loop time of 17.547 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.990 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.343     | 17.343     | 17.343     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040644   | 0.040644   | 0.040644   |   0.0 |  0.23
Output  | 5.3089e-05 | 5.3089e-05 | 5.3089e-05 |   0.0 |  0.00
Modify  | 0.14246    | 0.14246    | 0.14246    |   0.0 |  0.81
Other   |            | 0.02067    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138949.0 ave      138949 max      138949 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138949
Ave neighs/atom = 69.474500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.887027097312, Press = -0.677189982139348
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  144000   -8082.1597   -8082.1597   -8159.4291   -8159.4291     299.0406     299.0406    23390.085    23390.085   -969.97493   -969.97493 
  145000   -8077.2985   -8077.2985   -8158.9754   -8158.9754    316.09793    316.09793    23370.182    23370.182    443.54859    443.54859 
Loop time of 17.486 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.857 hours/ns, 57.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.282     | 17.282     | 17.282     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040579   | 0.040579   | 0.040579   |   0.0 |  0.23
Output  | 4.5736e-05 | 4.5736e-05 | 4.5736e-05 |   0.0 |  0.00
Modify  | 0.14267    | 0.14267    | 0.14267    |   0.0 |  0.82
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5427.00 ave        5427 max        5427 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138687.0 ave      138687 max      138687 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138687
Ave neighs/atom = 69.343500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.874083487894, Press = -0.644999559000293
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  145000   -8077.2985   -8077.2985   -8158.9754   -8158.9754    316.09793    316.09793    23370.182    23370.182    443.54859    443.54859 
  146000   -8082.9727   -8082.9727   -8161.4553   -8161.4553    303.73563    303.73563    23380.265    23380.265   -514.26632   -514.26632 
Loop time of 17.5366 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.927 ns/day, 4.871 hours/ns, 57.023 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.333     | 17.333     | 17.333     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040555   | 0.040555   | 0.040555   |   0.0 |  0.23
Output  | 6.0705e-05 | 6.0705e-05 | 6.0705e-05 |   0.0 |  0.00
Modify  | 0.14246    | 0.14246    | 0.14246    |   0.0 |  0.81
Other   |            | 0.0207     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138842.0 ave      138842 max      138842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138842
Ave neighs/atom = 69.421000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.86136664963, Press = -0.961115220957786
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  146000   -8082.9727   -8082.9727   -8161.4553   -8161.4553    303.73563    303.73563    23380.265    23380.265   -514.26632   -514.26632 
  147000   -8078.2547   -8078.2547   -8158.6245   -8158.6245    311.03941    311.03941    23403.278    23403.278   -1559.0958   -1559.0958 
Loop time of 17.5461 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.993 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.342     | 17.342     | 17.342     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040571   | 0.040571   | 0.040571   |   0.0 |  0.23
Output  | 5.4652e-05 | 5.4652e-05 | 5.4652e-05 |   0.0 |  0.00
Modify  | 0.14242    | 0.14242    | 0.14242    |   0.0 |  0.81
Other   |            | 0.02067    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5428.00 ave        5428 max        5428 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138672.0 ave      138672 max      138672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138672
Ave neighs/atom = 69.336000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.857306020673, Press = -0.728879689140389
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  147000   -8078.2547   -8078.2547   -8158.6245   -8158.6245    311.03941    311.03941    23403.278    23403.278   -1559.0958   -1559.0958 
  148000   -8076.2099   -8076.2099   -8159.3933   -8159.3933    321.92835    321.92835    23350.661    23350.661     2098.195     2098.195 
Loop time of 17.5491 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.923 ns/day, 4.875 hours/ns, 56.983 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.345     | 17.345     | 17.345     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040598   | 0.040598   | 0.040598   |   0.0 |  0.23
Output  | 4.5119e-05 | 4.5119e-05 | 4.5119e-05 |   0.0 |  0.00
Modify  | 0.14253    | 0.14253    | 0.14253    |   0.0 |  0.81
Other   |            | 0.02068    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138732.0 ave      138732 max      138732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138732
Ave neighs/atom = 69.366000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.857593888882, Press = -0.467912813957554
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  148000   -8076.2099   -8076.2099   -8159.3933   -8159.3933    321.92835    321.92835    23350.661    23350.661     2098.195     2098.195 
  149000   -8081.2429   -8081.2429   -8158.7405   -8158.7405     299.9239     299.9239    23366.329    23366.329    651.88349    651.88349 
Loop time of 17.5352 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.927 ns/day, 4.871 hours/ns, 57.028 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.331     | 17.331     | 17.331     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040832   | 0.040832   | 0.040832   |   0.0 |  0.23
Output  | 5.432e-05  | 5.432e-05  | 5.432e-05  |   0.0 |  0.00
Modify  | 0.14245    | 0.14245    | 0.14245    |   0.0 |  0.81
Other   |            | 0.02065    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138809.0 ave      138809 max      138809 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138809
Ave neighs/atom = 69.404500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.8432371932, Press = -1.51850122508678
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  149000   -8081.2429   -8081.2429   -8158.7405   -8158.7405     299.9239     299.9239    23366.329    23366.329    651.88349    651.88349 
  150000   -8078.2518   -8078.2518   -8159.6515   -8159.6515    315.02523    315.02523    23420.314    23420.314   -3155.4814   -3155.4814 
Loop time of 17.5606 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.920 ns/day, 4.878 hours/ns, 56.946 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.357     | 17.357     | 17.357     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04049    | 0.04049    | 0.04049    |   0.0 |  0.23
Output  | 6.5285e-05 | 6.5285e-05 | 6.5285e-05 |   0.0 |  0.00
Modify  | 0.14259    | 0.14259    | 0.14259    |   0.0 |  0.81
Other   |            | 0.02066    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138941.0 ave      138941 max      138941 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138941
Ave neighs/atom = 69.470500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.839463617626, Press = -0.724675304374593
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  150000   -8078.2518   -8078.2518   -8159.6515   -8159.6515    315.02523    315.02523    23420.314    23420.314   -3155.4814   -3155.4814 
  151000   -8074.9078   -8074.9078    -8156.711    -8156.711    316.58684    316.58684    23374.457    23374.457    700.70641    700.70641 
Loop time of 17.5426 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.925 ns/day, 4.873 hours/ns, 57.004 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.339     | 17.339     | 17.339     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040602   | 0.040602   | 0.040602   |   0.0 |  0.23
Output  | 5.2271e-05 | 5.2271e-05 | 5.2271e-05 |   0.0 |  0.00
Modify  | 0.14242    | 0.14242    | 0.14242    |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138666.0 ave      138666 max      138666 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138666
Ave neighs/atom = 69.333000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.832109056993, Press = -0.364750316903872
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  151000   -8074.9078   -8074.9078    -8156.711    -8156.711    316.58684    316.58684    23374.457    23374.457    700.70641    700.70641 
  152000   -8079.0462   -8079.0462   -8157.5417   -8157.5417    303.78569    303.78569    23361.534    23361.534    1138.0174    1138.0174 
Loop time of 17.5504 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.923 ns/day, 4.875 hours/ns, 56.979 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.346     | 17.346     | 17.346     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040896   | 0.040896   | 0.040896   |   0.0 |  0.23
Output  | 5.363e-05  | 5.363e-05  | 5.363e-05  |   0.0 |  0.00
Modify  | 0.14248    | 0.14248    | 0.14248    |   0.0 |  0.81
Other   |            | 0.0207     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138951.0 ave      138951 max      138951 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138951
Ave neighs/atom = 69.475500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.82811922415, Press = -0.844801352477104
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  152000   -8079.0462   -8079.0462   -8157.5417   -8157.5417    303.78569    303.78569    23361.534    23361.534    1138.0174    1138.0174 
  153000   -8076.4377   -8076.4377   -8156.9621   -8156.9621    311.63768    311.63768    23430.711    23430.711   -3632.2995   -3632.2995 
Loop time of 17.5457 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.994 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.342     | 17.342     | 17.342     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040931   | 0.040931   | 0.040931   |   0.0 |  0.23
Output  | 4.5542e-05 | 4.5542e-05 | 4.5542e-05 |   0.0 |  0.00
Modify  | 0.14242    | 0.14242    | 0.14242    |   0.0 |  0.81
Other   |            | 0.0206     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138984.0 ave      138984 max      138984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138984
Ave neighs/atom = 69.492000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.818847229153, Press = -1.00093487948772
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  153000   -8076.4377   -8076.4377   -8156.9621   -8156.9621    311.63768    311.63768    23430.711    23430.711   -3632.2995   -3632.2995 
  154000   -8083.4049   -8083.4049   -8162.0599   -8162.0599    304.40298    304.40298    23373.571    23373.571   -450.23657   -450.23657 
Loop time of 17.5365 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.927 ns/day, 4.871 hours/ns, 57.024 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.333     | 17.333     | 17.333     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040707   | 0.040707   | 0.040707   |   0.0 |  0.23
Output  | 5.7057e-05 | 5.7057e-05 | 5.7057e-05 |   0.0 |  0.00
Modify  | 0.14257    | 0.14257    | 0.14257    |   0.0 |  0.81
Other   |            | 0.02067    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138616.0 ave      138616 max      138616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138616
Ave neighs/atom = 69.308000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.810104678952, Press = -0.026730819688458
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  154000   -8083.4049   -8083.4049   -8162.0599   -8162.0599    304.40298    304.40298    23373.571    23373.571   -450.23657   -450.23657 
  155000   -8077.3027   -8077.3027   -8157.4715   -8157.4715    310.26136    310.26136    23350.931    23350.931    1906.2662    1906.2662 
Loop time of 17.5431 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.925 ns/day, 4.873 hours/ns, 57.003 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.339     | 17.339     | 17.339     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040803   | 0.040803   | 0.040803   |   0.0 |  0.23
Output  | 4.5413e-05 | 4.5413e-05 | 4.5413e-05 |   0.0 |  0.00
Modify  | 0.14229    | 0.14229    | 0.14229    |   0.0 |  0.81
Other   |            | 0.02075    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138808.0 ave      138808 max      138808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138808
Ave neighs/atom = 69.404000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.801596537127, Press = -0.653769157207602
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  155000   -8077.3027   -8077.3027   -8157.4715   -8157.4715    310.26136    310.26136    23350.931    23350.931    1906.2662    1906.2662 
  156000   -8078.7662   -8078.7662   -8159.3677   -8159.3677    311.93609    311.93609    23396.375    23396.375   -1358.6722   -1358.6722 
Loop time of 17.5632 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.919 ns/day, 4.879 hours/ns, 56.937 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.359     | 17.359     | 17.359     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04091    | 0.04091    | 0.04091    |   0.0 |  0.23
Output  | 6.8087e-05 | 6.8087e-05 | 6.8087e-05 |   0.0 |  0.00
Modify  | 0.14243    | 0.14243    | 0.14243    |   0.0 |  0.81
Other   |            | 0.0207     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139025.0 ave      139025 max      139025 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139025
Ave neighs/atom = 69.512500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.798120735096, Press = -0.902943591686709
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  156000   -8078.7662   -8078.7662   -8159.3677   -8159.3677    311.93609    311.93609    23396.375    23396.375   -1358.6722   -1358.6722 
  157000   -8074.6798   -8074.6798   -8155.0172   -8155.0172    310.91418    310.91418      23397.7      23397.7    -813.7434    -813.7434 
Loop time of 17.5145 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.096 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040691   | 0.040691   | 0.040691   |   0.0 |  0.23
Output  | 5.8852e-05 | 5.8852e-05 | 5.8852e-05 |   0.0 |  0.00
Modify  | 0.1423     | 0.1423     | 0.1423     |   0.0 |  0.81
Other   |            | 0.0207     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138698.0 ave      138698 max      138698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138698
Ave neighs/atom = 69.349000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.812618513135, Press = -0.665060706435448
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  157000   -8074.6798   -8074.6798   -8155.0172   -8155.0172    310.91418    310.91418      23397.7      23397.7    -813.7434    -813.7434 
  158000   -8078.8081   -8078.8081   -8158.7452   -8158.7452    309.36482    309.36482    23372.712    23372.712    233.56758    233.56758 
Loop time of 17.5483 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.875 hours/ns, 56.986 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.345     | 17.345     | 17.345     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04042    | 0.04042    | 0.04042    |   0.0 |  0.23
Output  | 5.0246e-05 | 5.0246e-05 | 5.0246e-05 |   0.0 |  0.00
Modify  | 0.14227    | 0.14227    | 0.14227    |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5427.00 ave        5427 max        5427 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138803.0 ave      138803 max      138803 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138803
Ave neighs/atom = 69.401500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.822708092043, Press = -0.534016533239993
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  158000   -8078.8081   -8078.8081   -8158.7452   -8158.7452    309.36482    309.36482    23372.712    23372.712    233.56758    233.56758 
  159000    -8074.285    -8074.285   -8157.2101   -8157.2101    320.92877    320.92877    23366.595    23366.595    1167.8335    1167.8335 
Loop time of 17.5321 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.038 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.328     | 17.328     | 17.328     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040753   | 0.040753   | 0.040753   |   0.0 |  0.23
Output  | 5.3481e-05 | 5.3481e-05 | 5.3481e-05 |   0.0 |  0.00
Modify  | 0.14241    | 0.14241    | 0.14241    |   0.0 |  0.81
Other   |            | 0.0207     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138859.0 ave      138859 max      138859 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138859
Ave neighs/atom = 69.429500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.842637935923, Press = -0.710767390658075
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  159000    -8074.285    -8074.285   -8157.2101   -8157.2101    320.92877    320.92877    23366.595    23366.595    1167.8335    1167.8335 
  160000   -8079.3719   -8079.3719   -8159.6947   -8159.6947    310.85767    310.85767    23368.062    23368.062    479.47185    479.47185 
Loop time of 17.5639 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.919 ns/day, 4.879 hours/ns, 56.935 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.36      | 17.36      | 17.36      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040614   | 0.040614   | 0.040614   |   0.0 |  0.23
Output  | 5.2606e-05 | 5.2606e-05 | 5.2606e-05 |   0.0 |  0.00
Modify  | 0.14246    | 0.14246    | 0.14246    |   0.0 |  0.81
Other   |            | 0.02068    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138935.0 ave      138935 max      138935 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138935
Ave neighs/atom = 69.467500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.861989778721, Press = -1.03754969593259
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  160000   -8079.3719   -8079.3719   -8159.6947   -8159.6947    310.85767    310.85767    23368.062    23368.062    479.47185    479.47185 
  161000   -8075.4992   -8075.4992   -8157.9507   -8157.9507    319.09573    319.09573    23407.294    23407.294   -1977.4772   -1977.4772 
Loop time of 17.563 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.919 ns/day, 4.879 hours/ns, 56.938 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.359     | 17.359     | 17.359     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040779   | 0.040779   | 0.040779   |   0.0 |  0.23
Output  | 5.3928e-05 | 5.3928e-05 | 5.3928e-05 |   0.0 |  0.00
Modify  | 0.14244    | 0.14244    | 0.14244    |   0.0 |  0.81
Other   |            | 0.02066    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138814.0 ave      138814 max      138814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138814
Ave neighs/atom = 69.407000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.870308131216, Press = -0.78428372667724
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  161000   -8075.4992   -8075.4992   -8157.9507   -8157.9507    319.09573    319.09573    23407.294    23407.294   -1977.4772   -1977.4772 
  162000   -8078.4686   -8078.4686   -8159.2799   -8159.2799    312.74805    312.74805    23372.972    23372.972   -33.362031   -33.362031 
Loop time of 17.5309 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.042 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.327     | 17.327     | 17.327     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040687   | 0.040687   | 0.040687   |   0.0 |  0.23
Output  | 5.0225e-05 | 5.0225e-05 | 5.0225e-05 |   0.0 |  0.00
Modify  | 0.14235    | 0.14235    | 0.14235    |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5434.00 ave        5434 max        5434 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138683.0 ave      138683 max      138683 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138683
Ave neighs/atom = 69.341500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.885073682436, Press = -0.203408318702926
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  162000   -8078.4686   -8078.4686   -8159.2799   -8159.2799    312.74805    312.74805    23372.972    23372.972   -33.362031   -33.362031 
  163000   -8078.1743   -8078.1743   -8160.1043   -8160.1043    317.07758    317.07758    23337.639    23337.639    2309.7222    2309.7222 
Loop time of 17.5602 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.920 ns/day, 4.878 hours/ns, 56.947 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.356     | 17.356     | 17.356     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040599   | 0.040599   | 0.040599   |   0.0 |  0.23
Output  | 7.0024e-05 | 7.0024e-05 | 7.0024e-05 |   0.0 |  0.00
Modify  | 0.14245    | 0.14245    | 0.14245    |   0.0 |  0.81
Other   |            | 0.02071    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138896.0 ave      138896 max      138896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138896
Ave neighs/atom = 69.448000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.878164928668, Press = -0.864455958929023
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  163000   -8078.1743   -8078.1743   -8160.1043   -8160.1043    317.07758    317.07758    23337.639    23337.639    2309.7222    2309.7222 
  164000   -8082.0112   -8082.0112   -8160.3854   -8160.3854    303.31614    303.31614    23392.028    23392.028   -1481.0346   -1481.0346 
Loop time of 17.5394 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.872 hours/ns, 57.014 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.336     | 17.336     | 17.336     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040594   | 0.040594   | 0.040594   |   0.0 |  0.23
Output  | 6.125e-05  | 6.125e-05  | 6.125e-05  |   0.0 |  0.00
Modify  | 0.14232    | 0.14232    | 0.14232    |   0.0 |  0.81
Other   |            | 0.02071    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139082.0 ave      139082 max      139082 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139082
Ave neighs/atom = 69.541000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.87045943761, Press = -1.07519430797054
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  164000   -8082.0112   -8082.0112   -8160.3854   -8160.3854    303.31614    303.31614    23392.028    23392.028   -1481.0346   -1481.0346 
  165000   -8076.1449   -8076.1449   -8159.0585   -8159.0585     320.8842     320.8842    23390.539    23390.539   -826.59914   -826.59914 
Loop time of 17.5283 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.051 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.324     | 17.324     | 17.324     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040779   | 0.040779   | 0.040779   |   0.0 |  0.23
Output  | 4.52e-05   | 4.52e-05   | 4.52e-05   |   0.0 |  0.00
Modify  | 0.14239    | 0.14239    | 0.14239    |   0.0 |  0.81
Other   |            | 0.02071    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138554.0 ave      138554 max      138554 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138554
Ave neighs/atom = 69.277000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.859054915921, Press = -0.293616253330795
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  165000   -8076.1449   -8076.1449   -8159.0585   -8159.0585     320.8842     320.8842    23390.539    23390.539   -826.59914   -826.59914 
  166000   -8078.8665   -8078.8665   -8160.0512   -8160.0512    314.19326    314.19326    23343.113    23343.113    2212.1132    2212.1132 
Loop time of 17.5495 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.923 ns/day, 4.875 hours/ns, 56.982 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.345     | 17.345     | 17.345     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0407     | 0.0407     | 0.0407     |   0.0 |  0.23
Output  | 5.3434e-05 | 5.3434e-05 | 5.3434e-05 |   0.0 |  0.00
Modify  | 0.14259    | 0.14259    | 0.14259    |   0.0 |  0.81
Other   |            | 0.02068    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138742.0 ave      138742 max      138742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138742
Ave neighs/atom = 69.371000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.848706699822, Press = -0.684935560336569
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  166000   -8078.8665   -8078.8665   -8160.0512   -8160.0512    314.19326    314.19326    23343.113    23343.113    2212.1132    2212.1132 
  167000   -8075.4392   -8075.4392   -8158.3494   -8158.3494    320.87093    320.87093    23401.375    23401.375   -1532.7598   -1532.7598 
Loop time of 17.5575 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.921 ns/day, 4.877 hours/ns, 56.956 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.354     | 17.354     | 17.354     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040771   | 0.040771   | 0.040771   |   0.0 |  0.23
Output  | 4.5743e-05 | 4.5743e-05 | 4.5743e-05 |   0.0 |  0.00
Modify  | 0.14229    | 0.14229    | 0.14229    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138997.0 ave      138997 max      138997 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138997
Ave neighs/atom = 69.498500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.84098428493, Press = -1.16444213746158
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  167000   -8075.4392   -8075.4392   -8158.3494   -8158.3494    320.87093    320.87093    23401.375    23401.375   -1532.7598   -1532.7598 
  168000   -8077.6572   -8077.6572   -8159.5932   -8159.5932      317.101      317.101    23398.294    23398.294   -1535.6746   -1535.6746 
Loop time of 17.5316 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.040 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.328     | 17.328     | 17.328     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04074    | 0.04074    | 0.04074    |   0.0 |  0.23
Output  | 5.3245e-05 | 5.3245e-05 | 5.3245e-05 |   0.0 |  0.00
Modify  | 0.14245    | 0.14245    | 0.14245    |   0.0 |  0.81
Other   |            | 0.02068    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138786.0 ave      138786 max      138786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138786
Ave neighs/atom = 69.393000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.842977673068, Press = -0.524360239930408
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  168000   -8077.6572   -8077.6572   -8159.5932   -8159.5932      317.101      317.101    23398.294    23398.294   -1535.6746   -1535.6746 
  169000    -8080.401    -8080.401   -8159.1555   -8159.1555    304.78814    304.78814    23365.632    23365.632    626.73542    626.73542 
Loop time of 17.5274 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.054 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.324     | 17.324     | 17.324     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040537   | 0.040537   | 0.040537   |   0.0 |  0.23
Output  | 6.9297e-05 | 6.9297e-05 | 6.9297e-05 |   0.0 |  0.00
Modify  | 0.14226    | 0.14226    | 0.14226    |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138644.0 ave      138644 max      138644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138644
Ave neighs/atom = 69.322000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.84281825757, Press = -0.636494972825988
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  169000    -8080.401    -8080.401   -8159.1555   -8159.1555    304.78814    304.78814    23365.632    23365.632    626.73542    626.73542 
  170000   -8078.5529   -8078.5529   -8157.2785   -8157.2785    304.67612    304.67612    23372.972    23372.972    392.61153    392.61153 
Loop time of 17.5356 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.927 ns/day, 4.871 hours/ns, 57.027 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.332     | 17.332     | 17.332     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040674   | 0.040674   | 0.040674   |   0.0 |  0.23
Output  | 6.3754e-05 | 6.3754e-05 | 6.3754e-05 |   0.0 |  0.00
Modify  | 0.14251    | 0.14251    | 0.14251    |   0.0 |  0.81
Other   |            | 0.02066    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138983.0 ave      138983 max      138983 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138983
Ave neighs/atom = 69.491500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.842316154514, Press = -0.799137696093678
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  170000   -8078.5529   -8078.5529   -8157.2785   -8157.2785    304.67612    304.67612    23372.972    23372.972    392.61153    392.61153 
  171000    -8081.362    -8081.362   -8160.3842   -8160.3842    305.82404    305.82404    23395.032    23395.032   -1570.9995   -1570.9995 
Loop time of 17.5445 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.925 ns/day, 4.873 hours/ns, 56.998 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.341     | 17.341     | 17.341     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040768   | 0.040768   | 0.040768   |   0.0 |  0.23
Output  | 5.4722e-05 | 5.4722e-05 | 5.4722e-05 |   0.0 |  0.00
Modify  | 0.14239    | 0.14239    | 0.14239    |   0.0 |  0.81
Other   |            | 0.02068    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138945.0 ave      138945 max      138945 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138945
Ave neighs/atom = 69.472500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.82643893833, Press = -0.855226108693826
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  171000    -8081.362    -8081.362   -8160.3842   -8160.3842    305.82404    305.82404    23395.032    23395.032   -1570.9995   -1570.9995 
  172000   -8076.8165   -8076.8165   -8157.7716   -8157.7716    313.30474    313.30474    23399.805    23399.805   -1555.8019   -1555.8019 
Loop time of 17.5278 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.052 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.324     | 17.324     | 17.324     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04057    | 0.04057    | 0.04057    |   0.0 |  0.23
Output  | 4.5708e-05 | 4.5708e-05 | 4.5708e-05 |   0.0 |  0.00
Modify  | 0.14252    | 0.14252    | 0.14252    |   0.0 |  0.81
Other   |            | 0.02067    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138671.0 ave      138671 max      138671 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138671
Ave neighs/atom = 69.335500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.817840815712, Press = -0.0779229387012125
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  172000   -8076.8165   -8076.8165   -8157.7716   -8157.7716    313.30474    313.30474    23399.805    23399.805   -1555.8019   -1555.8019 
  173000   -8075.3789   -8075.3789   -8157.0199   -8157.0199    315.95886    315.95886    23344.551    23344.551    2430.0437    2430.0437 
Loop time of 17.5323 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.038 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.328     | 17.328     | 17.328     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040866   | 0.040866   | 0.040866   |   0.0 |  0.23
Output  | 5.3542e-05 | 5.3542e-05 | 5.3542e-05 |   0.0 |  0.00
Modify  | 0.14237    | 0.14237    | 0.14237    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138787.0 ave      138787 max      138787 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138787
Ave neighs/atom = 69.393500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.815064249729, Press = -0.601179849092064
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  173000   -8075.3789   -8075.3789   -8157.0199   -8157.0199    315.95886    315.95886    23344.551    23344.551    2430.0437    2430.0437 
  174000   -8079.2686   -8079.2686   -8158.2049   -8158.2049    305.49161    305.49161    23382.909    23382.909   -525.47164   -525.47164 
Loop time of 17.5773 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.915 ns/day, 4.883 hours/ns, 56.892 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.374     | 17.374     | 17.374     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040465   | 0.040465   | 0.040465   |   0.0 |  0.23
Output  | 5.9959e-05 | 5.9959e-05 | 5.9959e-05 |   0.0 |  0.00
Modify  | 0.14254    | 0.14254    | 0.14254    |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5439.00 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139131.0 ave      139131 max      139131 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139131
Ave neighs/atom = 69.565500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.831258077142, Press = -0.968270044766598
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  174000   -8079.2686   -8079.2686   -8158.2049   -8158.2049    305.49161    305.49161    23382.909    23382.909   -525.47164   -525.47164 
  175000   -8074.8917   -8074.8917   -8157.2061   -8157.2061    318.56539    318.56539    23390.176    23390.176   -854.50832   -854.50832 
Loop time of 17.5705 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.917 ns/day, 4.881 hours/ns, 56.913 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.366     | 17.366     | 17.366     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040937   | 0.040937   | 0.040937   |   0.0 |  0.23
Output  | 5.5563e-05 | 5.5563e-05 | 5.5563e-05 |   0.0 |  0.00
Modify  | 0.14274    | 0.14274    | 0.14274    |   0.0 |  0.81
Other   |            | 0.02072    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138970.0 ave      138970 max      138970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138970
Ave neighs/atom = 69.485000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.842916916312, Press = -0.507000691553608
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  175000   -8074.8917   -8074.8917   -8157.2061   -8157.2061    318.56539    318.56539    23390.176    23390.176   -854.50832   -854.50832 
  176000   -8076.9328   -8076.9328   -8156.9917   -8156.9917    309.83592    309.83592    23378.464    23378.464    200.62206    200.62206 
Loop time of 17.5538 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.922 ns/day, 4.876 hours/ns, 56.968 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.35      | 17.35      | 17.35      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040642   | 0.040642   | 0.040642   |   0.0 |  0.23
Output  | 5.7603e-05 | 5.7603e-05 | 5.7603e-05 |   0.0 |  0.00
Modify  | 0.14242    | 0.14242    | 0.14242    |   0.0 |  0.81
Other   |            | 0.02073    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138831.0 ave      138831 max      138831 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138831
Ave neighs/atom = 69.415500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.841458130359, Press = -0.392003387703263
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  176000   -8076.9328   -8076.9328   -8156.9917   -8156.9917    309.83592    309.83592    23378.464    23378.464    200.62206    200.62206 
  177000   -8078.2956   -8078.2956   -8158.1144   -8158.1144      308.907      308.907    23360.689    23360.689     1133.842     1133.842 
Loop time of 17.4997 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.144 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040467   | 0.040467   | 0.040467   |   0.0 |  0.23
Output  | 5.7429e-05 | 5.7429e-05 | 5.7429e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5429.00 ave        5429 max        5429 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138960.0 ave      138960 max      138960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138960
Ave neighs/atom = 69.480000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.846013493823, Press = -0.719039330851968
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  177000   -8078.2956   -8078.2956   -8158.1144   -8158.1144      308.907      308.907    23360.689    23360.689     1133.842     1133.842 
  178000   -8075.3264   -8075.3264    -8157.211    -8157.211    316.90181    316.90181     23399.44     23399.44   -1389.6904   -1389.6904 
Loop time of 17.5163 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.866 hours/ns, 57.090 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.313     | 17.313     | 17.313     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040507   | 0.040507   | 0.040507   |   0.0 |  0.23
Output  | 4.6623e-05 | 4.6623e-05 | 4.6623e-05 |   0.0 |  0.00
Modify  | 0.14189    | 0.14189    | 0.14189    |   0.0 |  0.81
Other   |            | 0.02054    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138980.0 ave      138980 max      138980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138980
Ave neighs/atom = 69.490000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.847051405644, Press = -0.883091082260346
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  178000   -8075.3264   -8075.3264    -8157.211    -8157.211    316.90181    316.90181     23399.44     23399.44   -1389.6904   -1389.6904 
  179000   -8078.5742   -8078.5742   -8157.0882   -8157.0882    303.85764    303.85764    23395.347    23395.347   -1195.7635   -1195.7635 
Loop time of 17.5086 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.115 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.305     | 17.305     | 17.305     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040473   | 0.040473   | 0.040473   |   0.0 |  0.23
Output  | 3.9532e-05 | 3.9532e-05 | 3.9532e-05 |   0.0 |  0.00
Modify  | 0.14221    | 0.14221    | 0.14221    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138784.0 ave      138784 max      138784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138784
Ave neighs/atom = 69.392000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.857288307119, Press = -0.0902745949717689
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  179000   -8078.5742   -8078.5742   -8157.0882   -8157.0882    303.85764    303.85764    23395.347    23395.347   -1195.7635   -1195.7635 
  180000    -8079.867    -8079.867   -8160.2196   -8160.2196    310.97311    310.97311    23327.361    23327.361    2986.9491    2986.9491 
Loop time of 17.5301 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.045 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.327     | 17.327     | 17.327     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040597   | 0.040597   | 0.040597   |   0.0 |  0.23
Output  | 4.6047e-05 | 4.6047e-05 | 4.6047e-05 |   0.0 |  0.00
Modify  | 0.14196    | 0.14196    | 0.14196    |   0.0 |  0.81
Other   |            | 0.02053    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5433.00 ave        5433 max        5433 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138744.0 ave      138744 max      138744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138744
Ave neighs/atom = 69.372000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.872596537204, Press = -0.4533537599697
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  180000    -8079.867    -8079.867   -8160.2196   -8160.2196    310.97311    310.97311    23327.361    23327.361    2986.9491    2986.9491 
  181000   -8077.2883   -8077.2883   -8158.3479   -8158.3479    313.70915    313.70915    23384.333    23384.333   -673.14782   -673.14782 
Loop time of 17.5108 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.108 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04049    | 0.04049    | 0.04049    |   0.0 |  0.23
Output  | 4.485e-05  | 4.485e-05  | 4.485e-05  |   0.0 |  0.00
Modify  | 0.14195    | 0.14195    | 0.14195    |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5435.00 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139153.0 ave      139153 max      139153 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139153
Ave neighs/atom = 69.576500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.869866248093, Press = -0.918112374597761
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  181000   -8077.2883   -8077.2883   -8158.3479   -8158.3479    313.70915    313.70915    23384.333    23384.333   -673.14782   -673.14782 
  182000   -8081.8083   -8081.8083   -8160.3578   -8160.3578    303.99484    303.99484    23378.939    23378.939   -402.31331   -402.31331 
Loop time of 17.5032 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.132 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040739   | 0.040739   | 0.040739   |   0.0 |  0.23
Output  | 3.9531e-05 | 3.9531e-05 | 3.9531e-05 |   0.0 |  0.00
Modify  | 0.14183    | 0.14183    | 0.14183    |   0.0 |  0.81
Other   |            | 0.0206     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138895.0 ave      138895 max      138895 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138895
Ave neighs/atom = 69.447500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.856602636801, Press = -0.509623446291558
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  182000   -8081.8083   -8081.8083   -8160.3578   -8160.3578    303.99484    303.99484    23378.939    23378.939   -402.31331   -402.31331 
  183000   -8076.2633   -8076.2633   -8158.3186   -8158.3186    317.56269    317.56269    23355.276    23355.276    1397.0887    1397.0887 
Loop time of 17.5075 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.118 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.304     | 17.304     | 17.304     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040811   | 0.040811   | 0.040811   |   0.0 |  0.23
Output  | 4.514e-05  | 4.514e-05  | 4.514e-05  |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02056    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5433.00 ave        5433 max        5433 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138785.0 ave      138785 max      138785 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138785
Ave neighs/atom = 69.392500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.847725930181, Press = -0.575987834351088
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  183000   -8076.2633   -8076.2633   -8158.3186   -8158.3186    317.56269    317.56269    23355.276    23355.276    1397.0887    1397.0887 
  184000   -8082.5343   -8082.5343   -8160.5699   -8160.5699    302.00597    302.00597     23390.98     23390.98   -1330.4444   -1330.4444 
Loop time of 17.5039 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.130 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.301     | 17.301     | 17.301     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04071    | 0.04071    | 0.04071    |   0.0 |  0.23
Output  | 5.5519e-05 | 5.5519e-05 | 5.5519e-05 |   0.0 |  0.00
Modify  | 0.14175    | 0.14175    | 0.14175    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139013.0 ave      139013 max      139013 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139013
Ave neighs/atom = 69.506500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.837897272429, Press = -0.906175539098537
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  184000   -8082.5343   -8082.5343   -8160.5699   -8160.5699    302.00597    302.00597     23390.98     23390.98   -1330.4444   -1330.4444 
  185000   -8077.3787   -8077.3787   -8157.7704   -8157.7704    311.12401    311.12401    23396.027    23396.027   -1100.0945   -1100.0945 
Loop time of 17.5144 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.096 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040601   | 0.040601   | 0.040601   |   0.0 |  0.23
Output  | 4.4037e-05 | 4.4037e-05 | 4.4037e-05 |   0.0 |  0.00
Modify  | 0.14197    | 0.14197    | 0.14197    |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138691.0 ave      138691 max      138691 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138691
Ave neighs/atom = 69.345500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.832181236151, Press = -0.115424050302734
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  185000   -8077.3787   -8077.3787   -8157.7704   -8157.7704    311.12401    311.12401    23396.027    23396.027   -1100.0945   -1100.0945 
  186000   -8078.8769   -8078.8769   -8160.8193   -8160.8193    317.12538    317.12538    23328.149    23328.149    3040.0651    3040.0651 
Loop time of 17.488 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.858 hours/ns, 57.182 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.285     | 17.285     | 17.285     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040594   | 0.040594   | 0.040594   |   0.0 |  0.23
Output  | 4.3317e-05 | 4.3317e-05 | 4.3317e-05 |   0.0 |  0.00
Modify  | 0.1421     | 0.1421     | 0.1421     |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138805.0 ave      138805 max      138805 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138805
Ave neighs/atom = 69.402500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.825821747126, Press = -0.628747858920519
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  186000   -8078.8769   -8078.8769   -8160.8193   -8160.8193    317.12538    317.12538    23328.149    23328.149    3040.0651    3040.0651 
  187000   -8076.9266   -8076.9266    -8159.017    -8159.017    317.69805    317.69805    23388.706    23388.706   -637.86033   -637.86033 
Loop time of 17.5137 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.098 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04048    | 0.04048    | 0.04048    |   0.0 |  0.23
Output  | 4.4105e-05 | 4.4105e-05 | 4.4105e-05 |   0.0 |  0.00
Modify  | 0.14189    | 0.14189    | 0.14189    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139159.0 ave      139159 max      139159 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139159
Ave neighs/atom = 69.579500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.826390090402, Press = -0.764493163052211
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  187000   -8076.9266   -8076.9266    -8159.017    -8159.017    317.69805    317.69805    23388.706    23388.706   -637.86033   -637.86033 
  188000   -8079.3505   -8079.3505   -8158.4553   -8158.4553    306.14359    306.14359     23375.12     23375.12    1.6290044    1.6290044 
Loop time of 17.473 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.945 ns/day, 4.854 hours/ns, 57.231 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.27      | 17.27      | 17.27      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040481   | 0.040481   | 0.040481   |   0.0 |  0.23
Output  | 4.5548e-05 | 4.5548e-05 | 4.5548e-05 |   0.0 |  0.00
Modify  | 0.14185    | 0.14185    | 0.14185    |   0.0 |  0.81
Other   |            | 0.02054    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138702.0 ave      138702 max      138702 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138702
Ave neighs/atom = 69.351000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.831035242069, Press = -0.515500272389643
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  188000   -8079.3505   -8079.3505   -8158.4553   -8158.4553    306.14359    306.14359     23375.12     23375.12    1.6290044    1.6290044 
  189000    -8076.295    -8076.295   -8159.2531   -8159.2531    321.05645    321.05645    23374.322    23374.322    175.99683    175.99683 
Loop time of 17.5249 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.062 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.322     | 17.322     | 17.322     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040603   | 0.040603   | 0.040603   |   0.0 |  0.23
Output  | 3.8184e-05 | 3.8184e-05 | 3.8184e-05 |   0.0 |  0.00
Modify  | 0.14194    | 0.14194    | 0.14194    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138911.0 ave      138911 max      138911 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138911
Ave neighs/atom = 69.455500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.84071687232, Press = -0.668229906078294
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  189000    -8076.295    -8076.295   -8159.2531   -8159.2531    321.05645    321.05645    23374.322    23374.322    175.99683    175.99683 
  190000   -8081.3524   -8081.3524   -8160.3857   -8160.3857      305.867      305.867    23394.036    23394.036   -1319.6422   -1319.6422 
Loop time of 17.5063 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.122 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.303     | 17.303     | 17.303     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040559   | 0.040559   | 0.040559   |   0.0 |  0.23
Output  | 4.4948e-05 | 4.4948e-05 | 4.4948e-05 |   0.0 |  0.00
Modify  | 0.14239    | 0.14239    | 0.14239    |   0.0 |  0.81
Other   |            | 0.02055    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138884.0 ave      138884 max      138884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138884
Ave neighs/atom = 69.442000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.847761583755, Press = -0.699778405270298
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  190000   -8081.3524   -8081.3524   -8160.3857   -8160.3857      305.867      305.867    23394.036    23394.036   -1319.6422   -1319.6422 
  191000   -8077.4633   -8077.4633   -8158.2351   -8158.2351    312.59502    312.59502     23389.53     23389.53   -784.86453   -784.86453 
Loop time of 17.4685 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.946 ns/day, 4.852 hours/ns, 57.246 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.265     | 17.265     | 17.265     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04066    | 0.04066    | 0.04066    |   0.0 |  0.23
Output  | 5.6568e-05 | 5.6568e-05 | 5.6568e-05 |   0.0 |  0.00
Modify  | 0.142      | 0.142      | 0.142      |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138805.0 ave      138805 max      138805 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138805
Ave neighs/atom = 69.402500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.837072383716, Press = -0.349994599964235
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  191000   -8077.4633   -8077.4633   -8158.2351   -8158.2351    312.59502    312.59502     23389.53     23389.53   -784.86453   -784.86453 
  192000   -8081.2287   -8081.2287   -8162.5104   -8162.5104     314.5686     314.5686    23332.389    23332.389    2360.6699    2360.6699 
Loop time of 17.4681 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.946 ns/day, 4.852 hours/ns, 57.247 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.265     | 17.265     | 17.265     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040652   | 0.040652   | 0.040652   |   0.0 |  0.23
Output  | 4.5344e-05 | 4.5344e-05 | 4.5344e-05 |   0.0 |  0.00
Modify  | 0.14191    | 0.14191    | 0.14191    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138919.0 ave      138919 max      138919 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138919
Ave neighs/atom = 69.459500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.829878872147, Press = -0.777647697767313
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  192000   -8081.2287   -8081.2287   -8162.5104   -8162.5104     314.5686     314.5686    23332.389    23332.389    2360.6699    2360.6699 
  193000   -8077.5394   -8077.5394   -8156.3245   -8156.3245    304.90674    304.90674    23403.081    23403.081   -1581.3435   -1581.3435 
Loop time of 17.5295 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.047 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.326     | 17.326     | 17.326     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040595   | 0.040595   | 0.040595   |   0.0 |  0.23
Output  | 4.5593e-05 | 4.5593e-05 | 4.5593e-05 |   0.0 |  0.00
Modify  | 0.14198    | 0.14198    | 0.14198    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138964.0 ave      138964 max      138964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138964
Ave neighs/atom = 69.482000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.826577844876, Press = -1.06452355394638
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  193000   -8077.5394   -8077.5394   -8156.3245   -8156.3245    304.90674    304.90674    23403.081    23403.081   -1581.3435   -1581.3435 
  194000   -8079.3087   -8079.3087   -8160.1476   -8160.1476    312.85524    312.85524    23382.137    23382.137   -629.35351   -629.35351 
Loop time of 17.4989 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.147 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.296     | 17.296     | 17.296     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040646   | 0.040646   | 0.040646   |   0.0 |  0.23
Output  | 3.8861e-05 | 3.8861e-05 | 3.8861e-05 |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5433.00 ave        5433 max        5433 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138834.0 ave      138834 max      138834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138834
Ave neighs/atom = 69.417000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.830866176209, Press = -0.416350372033262
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  194000   -8079.3087   -8079.3087   -8160.1476   -8160.1476    312.85524    312.85524    23382.137    23382.137   -629.35351   -629.35351 
  195000     -8078.83     -8078.83   -8159.1458   -8159.1458     310.8304     310.8304     23360.48     23360.48    1368.0028    1368.0028 
Loop time of 17.5018 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.862 hours/ns, 57.137 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.299     | 17.299     | 17.299     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040622   | 0.040622   | 0.040622   |   0.0 |  0.23
Output  | 4.5039e-05 | 4.5039e-05 | 4.5039e-05 |   0.0 |  0.00
Modify  | 0.14205    | 0.14205    | 0.14205    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138763.0 ave      138763 max      138763 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138763
Ave neighs/atom = 69.381500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.830177561966, Press = -0.52678367980124
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  195000     -8078.83     -8078.83   -8159.1458   -8159.1458     310.8304     310.8304     23360.48     23360.48    1368.0028    1368.0028 
  196000   -8078.5391   -8078.5391   -8161.6336   -8161.6336    321.58414    321.58414    23383.171    23383.171   -377.37556   -377.37556 
Loop time of 17.513 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.100 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.31      | 17.31      | 17.31      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040611   | 0.040611   | 0.040611   |   0.0 |  0.23
Output  | 3.9572e-05 | 3.9572e-05 | 3.9572e-05 |   0.0 |  0.00
Modify  | 0.14184    | 0.14184    | 0.14184    |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138960.0 ave      138960 max      138960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138960
Ave neighs/atom = 69.480000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.84469557713, Press = -0.876655255631551
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  196000   -8078.5391   -8078.5391   -8161.6336   -8161.6336    321.58414    321.58414    23383.171    23383.171   -377.37556   -377.37556 
  197000   -8075.1623   -8075.1623   -8156.0858   -8156.0858     313.1824     313.1824    23424.533    23424.533    -2587.444    -2587.444 
Loop time of 17.5048 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.127 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.302     | 17.302     | 17.302     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040459   | 0.040459   | 0.040459   |   0.0 |  0.23
Output  | 6.2624e-05 | 6.2624e-05 | 6.2624e-05 |   0.0 |  0.00
Modify  | 0.14186    | 0.14186    | 0.14186    |   0.0 |  0.81
Other   |            | 0.02058    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138712.0 ave      138712 max      138712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138712
Ave neighs/atom = 69.356000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.854259508197, Press = -0.362297772137238
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  197000   -8075.1623   -8075.1623   -8156.0858   -8156.0858     313.1824     313.1824    23424.533    23424.533    -2587.444    -2587.444 
  198000   -8079.0246   -8079.0246   -8157.8127   -8157.8127    304.91812    304.91812    23312.092    23312.092    4523.7168    4523.7168 
Loop time of 17.4885 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.858 hours/ns, 57.180 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.286     | 17.286     | 17.286     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040337   | 0.040337   | 0.040337   |   0.0 |  0.23
Output  | 6.0016e-05 | 6.0016e-05 | 6.0016e-05 |   0.0 |  0.00
Modify  | 0.14191    | 0.14191    | 0.14191    |   0.0 |  0.81
Other   |            | 0.02053    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5430.00 ave        5430 max        5430 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138795.0 ave      138795 max      138795 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138795
Ave neighs/atom = 69.397500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862400543292, Press = -0.229028381529523
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  198000   -8079.0246   -8079.0246   -8157.8127   -8157.8127    304.91812    304.91812    23312.092    23312.092    4523.7168    4523.7168 
  199000    -8078.072    -8078.072   -8156.2205   -8156.2205    302.44268    302.44268    23380.613    23380.613    303.19604    303.19604 
Loop time of 17.5038 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.130 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04089    | 0.04089    | 0.04089    |   0.0 |  0.23
Output  | 3.9092e-05 | 3.9092e-05 | 3.9092e-05 |   0.0 |  0.00
Modify  | 0.14227    | 0.14227    | 0.14227    |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139202.0 ave      139202 max      139202 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139202
Ave neighs/atom = 69.601000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862394341682, Press = -0.710263328443196
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  199000    -8078.072    -8078.072   -8156.2205   -8156.2205    302.44268    302.44268    23380.613    23380.613    303.19604    303.19604 
  200000   -8074.7897   -8074.7897   -8160.1938   -8160.1938    330.52266    330.52266    23401.557    23401.557   -1541.1918   -1541.1918 
Loop time of 17.5034 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.132 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040611   | 0.040611   | 0.040611   |   0.0 |  0.23
Output  | 4.4544e-05 | 4.4544e-05 | 4.4544e-05 |   0.0 |  0.00
Modify  | 0.14211    | 0.14211    | 0.14211    |   0.0 |  0.81
Other   |            | 0.02066    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138819.0 ave      138819 max      138819 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138819
Ave neighs/atom = 69.409500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.867005045282, Press = -0.59491729667803
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  200000   -8074.7897   -8074.7897   -8160.1938   -8160.1938    330.52266    330.52266    23401.557    23401.557   -1541.1918   -1541.1918 
  201000   -8081.3047   -8081.3047   -8159.2136   -8159.2136    301.51552    301.51552    23382.722    23382.722   -261.37944   -261.37944 
Loop time of 17.4827 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.942 ns/day, 4.856 hours/ns, 57.199 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.279     | 17.279     | 17.279     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040647   | 0.040647   | 0.040647   |   0.0 |  0.23
Output  | 3.8825e-05 | 3.8825e-05 | 3.8825e-05 |   0.0 |  0.00
Modify  | 0.1419     | 0.1419     | 0.1419     |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138636.0 ave      138636 max      138636 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138636
Ave neighs/atom = 69.318000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.866594683727, Press = -0.361081450083858
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  201000   -8081.3047   -8081.3047   -8159.2136   -8159.2136    301.51552    301.51552    23382.722    23382.722   -261.37944   -261.37944 
  202000   -8076.9733   -8076.9733   -8158.2149   -8158.2149    314.41341    314.41341    23347.945    23347.945    2083.0857    2083.0857 
Loop time of 17.4999 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.143 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.296     | 17.296     | 17.296     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040649   | 0.040649   | 0.040649   |   0.0 |  0.23
Output  | 4.4807e-05 | 4.4807e-05 | 4.4807e-05 |   0.0 |  0.00
Modify  | 0.14221    | 0.14221    | 0.14221    |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138759.0 ave      138759 max      138759 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138759
Ave neighs/atom = 69.379500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.853901121929, Press = -0.69113985390036
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  202000   -8076.9733   -8076.9733   -8158.2149   -8158.2149    314.41341    314.41341    23347.945    23347.945    2083.0857    2083.0857 
  203000   -8082.6863   -8082.6863    -8162.456    -8162.456    308.71695    308.71695    23406.186    23406.186   -2303.1128   -2303.1128 
Loop time of 17.533 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.035 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.33      | 17.33      | 17.33      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040529   | 0.040529   | 0.040529   |   0.0 |  0.23
Output  | 3.9074e-05 | 3.9074e-05 | 3.9074e-05 |   0.0 |  0.00
Modify  | 0.14184    | 0.14184    | 0.14184    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139079.0 ave      139079 max      139079 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139079
Ave neighs/atom = 69.539500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.848219587107, Press = -0.966926623612645
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  203000   -8082.6863   -8082.6863    -8162.456    -8162.456    308.71695    308.71695    23406.186    23406.186   -2303.1128   -2303.1128 
  204000   -8075.7767   -8075.7767   -8158.6276   -8158.6276    320.64146    320.64146    23400.853    23400.853   -1486.2156   -1486.2156 
Loop time of 17.491 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.859 hours/ns, 57.172 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.288     | 17.288     | 17.288     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040555   | 0.040555   | 0.040555   |   0.0 |  0.23
Output  | 6.2467e-05 | 6.2467e-05 | 6.2467e-05 |   0.0 |  0.00
Modify  | 0.14201    | 0.14201    | 0.14201    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138420.0 ave      138420 max      138420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138420
Ave neighs/atom = 69.210000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.842101423182, Press = -0.0464808048011698
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  204000   -8075.7767   -8075.7767   -8158.6276   -8158.6276    320.64146    320.64146    23400.853    23400.853   -1486.2156   -1486.2156 
  205000   -8079.9899   -8079.9899   -8161.2314   -8161.2314    314.41297    314.41297    23340.703    23340.703    2213.2928    2213.2928 
Loop time of 17.5006 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.141 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040534   | 0.040534   | 0.040534   |   0.0 |  0.23
Output  | 4.759e-05  | 4.759e-05  | 4.759e-05  |   0.0 |  0.00
Modify  | 0.1422     | 0.1422     | 0.1422     |   0.0 |  0.81
Other   |            | 0.0206     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138706.0 ave      138706 max      138706 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138706
Ave neighs/atom = 69.353000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.851568392197, Press = -0.509701877726357
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  205000   -8079.9899   -8079.9899   -8161.2314   -8161.2314    314.41297    314.41297    23340.703    23340.703    2213.2928    2213.2928 
  206000   -8075.7726   -8075.7726   -8159.2989   -8159.2989    323.25517    323.25517    23380.448    23380.448   -84.215323   -84.215323 
Loop time of 17.5134 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.099 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.31      | 17.31      | 17.31      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040553   | 0.040553   | 0.040553   |   0.0 |  0.23
Output  | 3.963e-05  | 3.963e-05  | 3.963e-05  |   0.0 |  0.00
Modify  | 0.14187    | 0.14187    | 0.14187    |   0.0 |  0.81
Other   |            | 0.0206     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138983.0 ave      138983 max      138983 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138983
Ave neighs/atom = 69.491500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.854275957959, Press = -0.656101215354735
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  206000   -8075.7726   -8075.7726   -8159.2989   -8159.2989    323.25517    323.25517    23380.448    23380.448   -84.215323   -84.215323 
  207000   -8077.4163   -8077.4163   -8158.1968   -8158.1968    312.62892    312.62892    23388.852    23388.852   -657.33803   -657.33803 
Loop time of 17.5067 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.121 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.304     | 17.304     | 17.304     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040453   | 0.040453   | 0.040453   |   0.0 |  0.23
Output  | 4.6291e-05 | 4.6291e-05 | 4.6291e-05 |   0.0 |  0.00
Modify  | 0.14172    | 0.14172    | 0.14172    |   0.0 |  0.81
Other   |            | 0.02056    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138812.0 ave      138812 max      138812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138812
Ave neighs/atom = 69.406000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.867839787603, Press = -0.527013549205022
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  207000   -8077.4163   -8077.4163   -8158.1968   -8158.1968    312.62892    312.62892    23388.852    23388.852   -657.33803   -657.33803 
  208000    -8076.064    -8076.064   -8157.4925   -8157.4925     315.1369     315.1369    23366.186    23366.186    709.37027    709.37027 
Loop time of 17.527 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.869 hours/ns, 57.055 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.324     | 17.324     | 17.324     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040629   | 0.040629   | 0.040629   |   0.0 |  0.23
Output  | 3.9604e-05 | 3.9604e-05 | 3.9604e-05 |   0.0 |  0.00
Modify  | 0.14202    | 0.14202    | 0.14202    |   0.0 |  0.81
Other   |            | 0.02056    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138676.0 ave      138676 max      138676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138676
Ave neighs/atom = 69.338000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.876117926066, Press = -0.273508853415346
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  208000    -8076.064    -8076.064   -8157.4925   -8157.4925     315.1369     315.1369    23366.186    23366.186    709.37027    709.37027 
  209000   -8079.6076   -8079.6076    -8159.833    -8159.833    310.48031    310.48031    23338.232    23338.232     2371.788     2371.788 
Loop time of 17.5012 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.139 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.298     | 17.298     | 17.298     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040494   | 0.040494   | 0.040494   |   0.0 |  0.23
Output  | 4.5131e-05 | 4.5131e-05 | 4.5131e-05 |   0.0 |  0.00
Modify  | 0.14178    | 0.14178    | 0.14178    |   0.0 |  0.81
Other   |            | 0.02053    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5435.00 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138913.0 ave      138913 max      138913 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138913
Ave neighs/atom = 69.456500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.879369766454, Press = -0.966900065807775
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  209000   -8079.6076   -8079.6076    -8159.833    -8159.833    310.48031    310.48031    23338.232    23338.232     2371.788     2371.788 
  210000   -8078.1762   -8078.1762   -8158.8929   -8158.8929    312.38186    312.38186    23398.864    23398.864   -1441.4092   -1441.4092 
Loop time of 17.5032 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.132 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040517   | 0.040517   | 0.040517   |   0.0 |  0.23
Output  | 4.3795e-05 | 4.3795e-05 | 4.3795e-05 |   0.0 |  0.00
Modify  | 0.14199    | 0.14199    | 0.14199    |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139039.0 ave      139039 max      139039 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139039
Ave neighs/atom = 69.519500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.865241980612, Press = -0.59061672938314
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  210000   -8078.1762   -8078.1762   -8158.8929   -8158.8929    312.38186    312.38186    23398.864    23398.864   -1441.4092   -1441.4092 
  211000   -8080.0979   -8080.0979   -8161.8575   -8161.8575    316.41811    316.41811    23366.868    23366.868    332.94341    332.94341 
Loop time of 17.504 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.130 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040578   | 0.040578   | 0.040578   |   0.0 |  0.23
Output  | 5.5661e-05 | 5.5661e-05 | 5.5661e-05 |   0.0 |  0.00
Modify  | 0.14228    | 0.14228    | 0.14228    |   0.0 |  0.81
Other   |            | 0.02065    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138809.0 ave      138809 max      138809 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138809
Ave neighs/atom = 69.404500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.869275585141, Press = -0.416877256524166
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  211000   -8080.0979   -8080.0979   -8161.8575   -8161.8575    316.41811    316.41811    23366.868    23366.868    332.94341    332.94341 
  212000   -8072.6744   -8072.6744   -8156.5181   -8156.5181    324.48368    324.48368    23377.506    23377.506    463.12307    463.12307 
Loop time of 17.5067 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.121 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.304     | 17.304     | 17.304     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040496   | 0.040496   | 0.040496   |   0.0 |  0.23
Output  | 4.5102e-05 | 4.5102e-05 | 4.5102e-05 |   0.0 |  0.00
Modify  | 0.14187    | 0.14187    | 0.14187    |   0.0 |  0.81
Other   |            | 0.02056    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5434.00 ave        5434 max        5434 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138740.0 ave      138740 max      138740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138740
Ave neighs/atom = 69.370000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.877621757421, Press = -0.558217987537821
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  212000   -8072.6744   -8072.6744   -8156.5181   -8156.5181    324.48368    324.48368    23377.506    23377.506    463.12307    463.12307 
  213000   -8078.8237   -8078.8237   -8158.7877   -8158.7877    309.46907    309.46907    23411.468    23411.468   -2408.6024   -2408.6024 
Loop time of 17.5216 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.867 hours/ns, 57.072 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.319     | 17.319     | 17.319     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040594   | 0.040594   | 0.040594   |   0.0 |  0.23
Output  | 3.8901e-05 | 3.8901e-05 | 3.8901e-05 |   0.0 |  0.00
Modify  | 0.14195    | 0.14195    | 0.14195    |   0.0 |  0.81
Other   |            | 0.02052    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138898.0 ave      138898 max      138898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138898
Ave neighs/atom = 69.449000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889896738033, Press = -0.775694470490616
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  213000   -8078.8237   -8078.8237   -8158.7877   -8158.7877    309.46907    309.46907    23411.468    23411.468   -2408.6024   -2408.6024 
  214000   -8075.8949   -8075.8949   -8158.0536   -8158.0536    317.96257    317.96257    23399.513    23399.513   -1446.5959   -1446.5959 
Loop time of 17.5126 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.865 hours/ns, 57.102 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.31      | 17.31      | 17.31      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040455   | 0.040455   | 0.040455   |   0.0 |  0.23
Output  | 4.4782e-05 | 4.4782e-05 | 4.4782e-05 |   0.0 |  0.00
Modify  | 0.14198    | 0.14198    | 0.14198    |   0.0 |  0.81
Other   |            | 0.02058    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138674.0 ave      138674 max      138674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138674
Ave neighs/atom = 69.337000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.900185391882, Press = 0.0627656482339481
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  214000   -8075.8949   -8075.8949   -8158.0536   -8158.0536    317.96257    317.96257    23399.513    23399.513   -1446.5959   -1446.5959 
  215000   -8080.8225   -8080.8225   -8160.9555   -8160.9555    310.12322    310.12322    23337.455    23337.455    2522.1999    2522.1999 
Loop time of 17.4976 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.151 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.295     | 17.295     | 17.295     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040434   | 0.040434   | 0.040434   |   0.0 |  0.23
Output  | 3.9895e-05 | 3.9895e-05 | 3.9895e-05 |   0.0 |  0.00
Modify  | 0.14197    | 0.14197    | 0.14197    |   0.0 |  0.81
Other   |            | 0.02058    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138802.0 ave      138802 max      138802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138802
Ave neighs/atom = 69.401000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.8976047066, Press = -0.593022371151067
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  215000   -8080.8225   -8080.8225   -8160.9555   -8160.9555    310.12322    310.12322    23337.455    23337.455    2522.1999    2522.1999 
  216000   -8073.2538   -8073.2538   -8155.4711   -8155.4711    318.18948    318.18948     23399.92     23399.92   -1208.1552   -1208.1552 
Loop time of 17.5107 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.108 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.307     | 17.307     | 17.307     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040757   | 0.040757   | 0.040757   |   0.0 |  0.23
Output  | 4.4967e-05 | 4.4967e-05 | 4.4967e-05 |   0.0 |  0.00
Modify  | 0.14193    | 0.14193    | 0.14193    |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138887.0 ave      138887 max      138887 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138887
Ave neighs/atom = 69.443500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.897601673037, Press = -0.589545232070272
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  216000   -8073.2538   -8073.2538   -8155.4711   -8155.4711    318.18948    318.18948     23399.92     23399.92   -1208.1552   -1208.1552 
  217000   -8079.7775   -8079.7775   -8161.2407   -8161.2407    315.27113    315.27113    23399.972    23399.972   -1627.2611   -1627.2611 
Loop time of 17.5284 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.050 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.325     | 17.325     | 17.325     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040596   | 0.040596   | 0.040596   |   0.0 |  0.23
Output  | 4.4536e-05 | 4.4536e-05 | 4.4536e-05 |   0.0 |  0.00
Modify  | 0.14195    | 0.14195    | 0.14195    |   0.0 |  0.81
Other   |            | 0.02057    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138741.0 ave      138741 max      138741 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138741
Ave neighs/atom = 69.370500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.897101842286, Press = -0.193447441959596
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  217000   -8079.7775   -8079.7775   -8161.2407   -8161.2407    315.27113    315.27113    23399.972    23399.972   -1627.2611   -1627.2611 
  218000   -8077.2808   -8077.2808   -8158.7441   -8158.7441    315.27128    315.27128    23357.134    23357.134    1213.5885    1213.5885 
Loop time of 17.5053 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.863 hours/ns, 57.126 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.302     | 17.302     | 17.302     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04082    | 0.04082    | 0.04082    |   0.0 |  0.23
Output  | 5.5966e-05 | 5.5966e-05 | 5.5966e-05 |   0.0 |  0.00
Modify  | 0.14209    | 0.14209    | 0.14209    |   0.0 |  0.81
Other   |            | 0.02054    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138653.0 ave      138653 max      138653 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138653
Ave neighs/atom = 69.326500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889352315024, Press = -0.554756216377224
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  218000   -8077.2808   -8077.2808   -8158.7441   -8158.7441    315.27128    315.27128    23357.134    23357.134    1213.5885    1213.5885 
  219000   -8078.5174   -8078.5174   -8157.4902   -8157.4902    305.63303    305.63303    23395.048    23395.048   -1008.3551   -1008.3551 
Loop time of 17.5199 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.867 hours/ns, 57.078 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.317     | 17.317     | 17.317     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040538   | 0.040538   | 0.040538   |   0.0 |  0.23
Output  | 4.5153e-05 | 4.5153e-05 | 4.5153e-05 |   0.0 |  0.00
Modify  | 0.14197    | 0.14197    | 0.14197    |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139025.0 ave      139025 max      139025 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139025
Ave neighs/atom = 69.512500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.876447480484, Press = -0.847953898700415
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  219000   -8078.5174   -8078.5174   -8157.4902   -8157.4902    305.63303    305.63303    23395.048    23395.048   -1008.3551   -1008.3551 
  220000   -8079.8939   -8079.8939   -8158.6412   -8158.6412     304.7603     304.7603    23408.304    23408.304   -2374.8332   -2374.8332 
Loop time of 17.4977 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.150 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.295     | 17.295     | 17.295     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040404   | 0.040404   | 0.040404   |   0.0 |  0.23
Output  | 3.8978e-05 | 3.8978e-05 | 3.8978e-05 |   0.0 |  0.00
Modify  | 0.14207    | 0.14207    | 0.14207    |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138689.0 ave      138689 max      138689 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138689
Ave neighs/atom = 69.344500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.877027584455, Press = 0.0236868833820626
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  220000   -8079.8939   -8079.8939   -8158.6412   -8158.6412     304.7603     304.7603    23408.304    23408.304   -2374.8332   -2374.8332 
  221000   -8077.9727   -8077.9727   -8158.9034   -8158.9034    313.21036    313.21036    23353.218    23353.218    1657.9022    1657.9022 
Loop time of 17.5186 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.082 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.315     | 17.315     | 17.315     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040447   | 0.040447   | 0.040447   |   0.0 |  0.23
Output  | 4.4932e-05 | 4.4932e-05 | 4.4932e-05 |   0.0 |  0.00
Modify  | 0.142      | 0.142      | 0.142      |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5424.00 ave        5424 max        5424 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138751.0 ave      138751 max      138751 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138751
Ave neighs/atom = 69.375500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.873892241183, Press = -0.452989946772172
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  221000   -8077.9727   -8077.9727   -8158.9034   -8158.9034    313.21036    313.21036    23353.218    23353.218    1657.9022    1657.9022 
  222000   -8080.4802   -8080.4802   -8160.8129   -8160.8129    310.89584    310.89584    23389.605    23389.605   -1082.5683   -1082.5683 
Loop time of 17.5151 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.094 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.312     | 17.312     | 17.312     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040697   | 0.040697   | 0.040697   |   0.0 |  0.23
Output  | 4.627e-05  | 4.627e-05  | 4.627e-05  |   0.0 |  0.00
Modify  | 0.14198    | 0.14198    | 0.14198    |   0.0 |  0.81
Other   |            | 0.02066    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138962.0 ave      138962 max      138962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138962
Ave neighs/atom = 69.481000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.876940301361, Press = -0.590485948623499
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  222000   -8080.4802   -8080.4802   -8160.8129   -8160.8129    310.89584    310.89584    23389.605    23389.605   -1082.5683   -1082.5683 
  223000   -8077.3846   -8077.3846   -8158.7666   -8158.7666    314.95639    314.95639     23387.57     23387.57   -936.70417   -936.70417 
Loop time of 17.5037 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.131 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.301     | 17.301     | 17.301     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040553   | 0.040553   | 0.040553   |   0.0 |  0.23
Output  | 3.9088e-05 | 3.9088e-05 | 3.9088e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.02056    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138689.0 ave      138689 max      138689 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138689
Ave neighs/atom = 69.344500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.877125479125, Press = -0.46258640778431
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  223000   -8077.3846   -8077.3846   -8158.7666   -8158.7666    314.95639    314.95639     23387.57     23387.57   -936.70417   -936.70417 
  224000   -8078.5746   -8078.5746   -8159.6453   -8159.6453     313.7522     313.7522    23357.372    23357.372    1295.1773    1295.1773 
Loop time of 17.5262 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.057 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.323     | 17.323     | 17.323     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040585   | 0.040585   | 0.040585   |   0.0 |  0.23
Output  | 4.5587e-05 | 4.5587e-05 | 4.5587e-05 |   0.0 |  0.00
Modify  | 0.14193    | 0.14193    | 0.14193    |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138785.0 ave      138785 max      138785 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138785
Ave neighs/atom = 69.392500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.867048693046, Press = -0.160950281924865
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  224000   -8078.5746   -8078.5746   -8159.6453   -8159.6453     313.7522     313.7522    23357.372    23357.372    1295.1773    1295.1773 
  225000   -8077.1187   -8077.1187   -8158.0067   -8158.0067    313.04459    313.04459    23357.756    23357.756    1152.7158    1152.7158 
Loop time of 17.4934 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.859 hours/ns, 57.165 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.29      | 17.29      | 17.29      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040604   | 0.040604   | 0.040604   |   0.0 |  0.23
Output  | 6.1977e-05 | 6.1977e-05 | 6.1977e-05 |   0.0 |  0.00
Modify  | 0.14199    | 0.14199    | 0.14199    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139027.0 ave      139027 max      139027 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139027
Ave neighs/atom = 69.513500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.864937298993, Press = -0.808408580085828
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  225000   -8077.1187   -8077.1187   -8158.0067   -8158.0067    313.04459    313.04459    23357.756    23357.756    1152.7158    1152.7158 
  226000   -8079.2837   -8079.2837   -8159.1559   -8159.1559    309.11339    309.11339    23423.983    23423.983   -3261.8265   -3261.8265 
Loop time of 17.5023 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.862 hours/ns, 57.135 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.299     | 17.299     | 17.299     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040384   | 0.040384   | 0.040384   |   0.0 |  0.23
Output  | 4.4359e-05 | 4.4359e-05 | 4.4359e-05 |   0.0 |  0.00
Modify  | 0.14189    | 0.14189    | 0.14189    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139028.0 ave      139028 max      139028 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139028
Ave neighs/atom = 69.514000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.851763262091, Press = -0.375190386122351
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  226000   -8079.2837   -8079.2837   -8159.1559   -8159.1559    309.11339    309.11339    23423.983    23423.983   -3261.8265   -3261.8265 
  227000   -8078.7067   -8078.7067   -8159.5597   -8159.5597    312.90973    312.90973    23362.961    23362.961    877.51829    877.51829 
Loop time of 17.5189 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.081 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.316     | 17.316     | 17.316     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040691   | 0.040691   | 0.040691   |   0.0 |  0.23
Output  | 5.8802e-05 | 5.8802e-05 | 5.8802e-05 |   0.0 |  0.00
Modify  | 0.14197    | 0.14197    | 0.14197    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138522.0 ave      138522 max      138522 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138522
Ave neighs/atom = 69.261000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.849580466974, Press = -0.124108890099405
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  227000   -8078.7067   -8078.7067   -8159.5597   -8159.5597    312.90973    312.90973    23362.961    23362.961    877.51829    877.51829 
  228000   -8080.1525   -8080.1525   -8161.4759   -8161.4759    314.72988    314.72988    23367.963    23367.963    177.10594    177.10594 
Loop time of 17.5112 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.106 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04054    | 0.04054    | 0.04054    |   0.0 |  0.23
Output  | 4.3479e-05 | 4.3479e-05 | 4.3479e-05 |   0.0 |  0.00
Modify  | 0.14191    | 0.14191    | 0.14191    |   0.0 |  0.81
Other   |            | 0.02053    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138879.0 ave      138879 max      138879 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138879
Ave neighs/atom = 69.439500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.836599472149, Press = -0.56715459638096
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  228000   -8080.1525   -8080.1525   -8161.4759   -8161.4759    314.72988    314.72988    23367.963    23367.963    177.10594    177.10594 
  229000   -8079.5932   -8079.5932   -8160.3342   -8160.3342    312.47589    312.47589    23377.394    23377.394   -192.62274   -192.62274 
Loop time of 17.5235 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.868 hours/ns, 57.066 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.32      | 17.32      | 17.32      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040511   | 0.040511   | 0.040511   |   0.0 |  0.23
Output  | 4.6417e-05 | 4.6417e-05 | 4.6417e-05 |   0.0 |  0.00
Modify  | 0.142      | 0.142      | 0.142      |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138895.0 ave      138895 max      138895 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138895
Ave neighs/atom = 69.447500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.843660149749, Press = -0.298712029067297
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  229000   -8079.5932   -8079.5932   -8160.3342   -8160.3342    312.47589    312.47589    23377.394    23377.394   -192.62274   -192.62274 
  230000   -8078.7623   -8078.7623   -8160.4912   -8160.4912    316.29936    316.29936    23345.508    23345.508    1855.0312    1855.0312 
Loop time of 17.5037 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.131 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.301     | 17.301     | 17.301     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040554   | 0.040554   | 0.040554   |   0.0 |  0.23
Output  | 3.926e-05  | 3.926e-05  | 3.926e-05  |   0.0 |  0.00
Modify  | 0.14193    | 0.14193    | 0.14193    |   0.0 |  0.81
Other   |            | 0.02056    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138782.0 ave      138782 max      138782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138782
Ave neighs/atom = 69.391000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.84819958271, Press = -0.344273828967703
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  230000   -8078.7623   -8078.7623   -8160.4912   -8160.4912    316.29936    316.29936    23345.508    23345.508    1855.0312    1855.0312 
  231000   -8082.0669   -8082.0669    -8161.532    -8161.532    307.53828    307.53828    23399.178    23399.178   -1988.8717   -1988.8717 
Loop time of 17.496 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.156 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.292     | 17.292     | 17.292     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04077    | 0.04077    | 0.04077    |   0.0 |  0.23
Output  | 4.4634e-05 | 4.4634e-05 | 4.4634e-05 |   0.0 |  0.00
Modify  | 0.14213    | 0.14213    | 0.14213    |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138921.0 ave      138921 max      138921 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138921
Ave neighs/atom = 69.460500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.849305986353, Press = -0.888415869737157
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  231000   -8082.0669   -8082.0669    -8161.532    -8161.532    307.53828    307.53828    23399.178    23399.178   -1988.8717   -1988.8717 
  232000   -8077.4342   -8077.4342   -8159.7206   -8159.7206    318.45685    318.45685    23409.779    23409.779   -2246.4616   -2246.4616 
Loop time of 17.5003 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.142 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040447   | 0.040447   | 0.040447   |   0.0 |  0.23
Output  | 5.6724e-05 | 5.6724e-05 | 5.6724e-05 |   0.0 |  0.00
Modify  | 0.14192    | 0.14192    | 0.14192    |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138427.0 ave      138427 max      138427 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138427
Ave neighs/atom = 69.213500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.838175218868, Press = 0.0591672114213857
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  232000   -8077.4342   -8077.4342   -8159.7206   -8159.7206    318.45685    318.45685    23409.779    23409.779   -2246.4616   -2246.4616 
  233000   -8079.9792   -8079.9792   -8160.0728   -8160.0728    309.97049    309.97049     23334.06     23334.06     2809.416     2809.416 
Loop time of 17.5254 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.060 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.323     | 17.323     | 17.323     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040385   | 0.040385   | 0.040385   |   0.0 |  0.23
Output  | 5.0253e-05 | 5.0253e-05 | 5.0253e-05 |   0.0 |  0.00
Modify  | 0.14182    | 0.14182    | 0.14182    |   0.0 |  0.81
Other   |            | 0.02054    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5434.00 ave        5434 max        5434 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138661.0 ave      138661 max      138661 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138661
Ave neighs/atom = 69.330500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.839548194351, Press = -0.431501767869124
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  233000   -8079.9792   -8079.9792   -8160.0728   -8160.0728    309.97049    309.97049     23334.06     23334.06     2809.416     2809.416 
  234000   -8076.4375   -8076.4375   -8159.4373   -8159.4373    321.21753    321.21753    23371.184    23371.184     355.0958     355.0958 
Loop time of 17.495 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.860 hours/ns, 57.159 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.292     | 17.292     | 17.292     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040603   | 0.040603   | 0.040603   |   0.0 |  0.23
Output  | 4.5652e-05 | 4.5652e-05 | 4.5652e-05 |   0.0 |  0.00
Modify  | 0.14198    | 0.14198    | 0.14198    |   0.0 |  0.81
Other   |            | 0.0206     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139036.0 ave      139036 max      139036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139036
Ave neighs/atom = 69.518000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.828317703088, Press = -0.592262671679001
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  234000   -8076.4375   -8076.4375   -8159.4373   -8159.4373    321.21753    321.21753    23371.184    23371.184     355.0958     355.0958 
  235000   -8079.3019   -8079.3019    -8160.831    -8160.831    315.52609    315.52609     23389.78     23389.78   -1261.7697   -1261.7697 
Loop time of 17.4706 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.945 ns/day, 4.853 hours/ns, 57.239 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.267     | 17.267     | 17.267     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04073    | 0.04073    | 0.04073    |   0.0 |  0.23
Output  | 3.9238e-05 | 3.9238e-05 | 3.9238e-05 |   0.0 |  0.00
Modify  | 0.14209    | 0.14209    | 0.14209    |   0.0 |  0.81
Other   |            | 0.02058    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138890.0 ave      138890 max      138890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138890
Ave neighs/atom = 69.445000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.829491577197, Press = -0.330706344697885
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  235000   -8079.3019   -8079.3019    -8160.831    -8160.831    315.52609    315.52609     23389.78     23389.78   -1261.7697   -1261.7697 
  236000   -8075.0421   -8075.0421   -8158.2441   -8158.2441     322.0005     322.0005    23346.352    23346.352    2295.9202    2295.9202 
Loop time of 17.5054 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.863 hours/ns, 57.125 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.302     | 17.302     | 17.302     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040565   | 0.040565   | 0.040565   |   0.0 |  0.23
Output  | 4.4891e-05 | 4.4891e-05 | 4.4891e-05 |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02065    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138691.0 ave      138691 max      138691 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138691
Ave neighs/atom = 69.345500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.839884647199, Press = -0.431779079382848
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  236000   -8075.0421   -8075.0421   -8158.2441   -8158.2441     322.0005     322.0005    23346.352    23346.352    2295.9202    2295.9202 
  237000   -8079.6287   -8079.6287   -8158.9691   -8158.9691    307.05541    307.05541    23398.365    23398.365    -1353.546    -1353.546 
Loop time of 17.5037 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.131 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.301     | 17.301     | 17.301     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040557   | 0.040557   | 0.040557   |   0.0 |  0.23
Output  | 3.9869e-05 | 3.9869e-05 | 3.9869e-05 |   0.0 |  0.00
Modify  | 0.1417     | 0.1417     | 0.1417     |   0.0 |  0.81
Other   |            | 0.02067    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138993.0 ave      138993 max      138993 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138993
Ave neighs/atom = 69.496500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.838285507499, Press = -0.92366036719739
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  237000   -8079.6287   -8079.6287   -8158.9691   -8158.9691    307.05541    307.05541    23398.365    23398.365    -1353.546    -1353.546 
  238000   -8078.5845   -8078.5845   -8160.2119   -8160.2119    315.90633    315.90633    23394.054    23394.054   -1190.5895   -1190.5895 
Loop time of 17.5235 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.868 hours/ns, 57.066 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.32      | 17.32      | 17.32      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040517   | 0.040517   | 0.040517   |   0.0 |  0.23
Output  | 6.2515e-05 | 6.2515e-05 | 6.2515e-05 |   0.0 |  0.00
Modify  | 0.14207    | 0.14207    | 0.14207    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138814.0 ave      138814 max      138814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138814
Ave neighs/atom = 69.407000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.835356394114, Press = -0.253642575472882
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  238000   -8078.5845   -8078.5845   -8160.2119   -8160.2119    315.90633    315.90633    23394.054    23394.054   -1190.5895   -1190.5895 
  239000   -8077.5453   -8077.5453   -8159.1722   -8159.1722    315.90464    315.90464    23349.556    23349.556    1811.8904    1811.8904 
Loop time of 17.5006 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.141 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.298     | 17.298     | 17.298     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040461   | 0.040461   | 0.040461   |   0.0 |  0.23
Output  | 4.4474e-05 | 4.4474e-05 | 4.4474e-05 |   0.0 |  0.00
Modify  | 0.14199    | 0.14199    | 0.14199    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5438.00 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138678.0 ave      138678 max      138678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138678
Ave neighs/atom = 69.339000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.824445276955, Press = -0.271515270296463
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  239000   -8077.5453   -8077.5453   -8159.1722   -8159.1722    315.90464    315.90464    23349.556    23349.556    1811.8904    1811.8904 
  240000   -8079.1797   -8079.1797   -8159.7508   -8159.7508    311.81837    311.81837    23369.966    23369.966    52.769118    52.769118 
Loop time of 17.509 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.864 hours/ns, 57.113 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.306     | 17.306     | 17.306     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040677   | 0.040677   | 0.040677   |   0.0 |  0.23
Output  | 4.3992e-05 | 4.3992e-05 | 4.3992e-05 |   0.0 |  0.00
Modify  | 0.14189    | 0.14189    | 0.14189    |   0.0 |  0.81
Other   |            | 0.02057    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138982.0 ave      138982 max      138982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138982
Ave neighs/atom = 69.491000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.831385616307, Press = -0.594341926126338
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  240000   -8079.1797   -8079.1797   -8159.7508   -8159.7508    311.81837    311.81837    23369.966    23369.966    52.769118    52.769118 
  241000   -8074.7494   -8074.7494   -8157.2519   -8157.2519     319.2931     319.2931    23399.184    23399.184    -1485.998    -1485.998 
Loop time of 17.5254 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.060 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.322     | 17.322     | 17.322     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040576   | 0.040576   | 0.040576   |   0.0 |  0.23
Output  | 4.5234e-05 | 4.5234e-05 | 4.5234e-05 |   0.0 |  0.00
Modify  | 0.14195    | 0.14195    | 0.14195    |   0.0 |  0.81
Other   |            | 0.02057    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138841.0 ave      138841 max      138841 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138841
Ave neighs/atom = 69.420500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.840605864592, Press = -0.442903429945452
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  241000   -8074.7494   -8074.7494   -8157.2519   -8157.2519     319.2931     319.2931    23399.184    23399.184    -1485.998    -1485.998 
  242000   -8077.3174   -8077.3174   -8158.4921   -8158.4921    314.15445    314.15445    23375.703    23375.703   -15.670696   -15.670696 
Loop time of 17.5072 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.119 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.304     | 17.304     | 17.304     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04086    | 0.04086    | 0.04086    |   0.0 |  0.23
Output  | 3.918e-05  | 3.918e-05  | 3.918e-05  |   0.0 |  0.00
Modify  | 0.14202    | 0.14202    | 0.14202    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138687.0 ave      138687 max      138687 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138687
Ave neighs/atom = 69.343500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.837652877335, Press = -0.386596700401962
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  242000   -8077.3174   -8077.3174   -8158.4921   -8158.4921    314.15445    314.15445    23375.703    23375.703   -15.670696   -15.670696 
  243000   -8082.4507   -8082.4507   -8162.7015   -8162.7015    310.57871    310.57871      23362.1      23362.1    152.24123    152.24123 
Loop time of 17.5032 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.132 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040396   | 0.040396   | 0.040396   |   0.0 |  0.23
Output  | 4.552e-05  | 4.552e-05  | 4.552e-05  |   0.0 |  0.00
Modify  | 0.14195    | 0.14195    | 0.14195    |   0.0 |  0.81
Other   |            | 0.02051    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138871.0 ave      138871 max      138871 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138871
Ave neighs/atom = 69.435500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.831030604052, Press = -0.612229309600886
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  243000   -8082.4507   -8082.4507   -8162.7015   -8162.7015    310.57871    310.57871      23362.1      23362.1    152.24123    152.24123 
  244000   -8075.4508   -8075.4508    -8158.047    -8158.047    319.65594    319.65594    23431.527    23431.527    -3949.395    -3949.395 
Loop time of 17.5256 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.059 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.322     | 17.322     | 17.322     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04057    | 0.04057    | 0.04057    |   0.0 |  0.23
Output  | 3.918e-05  | 3.918e-05  | 3.918e-05  |   0.0 |  0.00
Modify  | 0.14202    | 0.14202    | 0.14202    |   0.0 |  0.81
Other   |            | 0.02058    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138738.0 ave      138738 max      138738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138738
Ave neighs/atom = 69.369000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.829152580565, Press = -0.478342422929036
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  244000   -8075.4508   -8075.4508    -8158.047    -8158.047    319.65594    319.65594    23431.527    23431.527    -3949.395    -3949.395 
  245000   -8079.2323   -8079.2323   -8157.8089   -8157.8089    304.09956    304.09956    23356.167    23356.167    1311.1177    1311.1177 
Loop time of 17.5113 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.106 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040513   | 0.040513   | 0.040513   |   0.0 |  0.23
Output  | 6.6393e-05 | 6.6393e-05 | 6.6393e-05 |   0.0 |  0.00
Modify  | 0.14214    | 0.14214    | 0.14214    |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5432.00 ave        5432 max        5432 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138642.0 ave      138642 max      138642 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138642
Ave neighs/atom = 69.321000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.827977838242, Press = -0.0323561327934633
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  245000   -8079.2323   -8079.2323   -8157.8089   -8157.8089    304.09956    304.09956    23356.167    23356.167    1311.1177    1311.1177 
  246000   -8078.2389   -8078.2389   -8160.3124   -8160.3124    317.63307    317.63307    23365.564    23365.564    789.35185    789.35185 
Loop time of 17.5253 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.060 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.322     | 17.322     | 17.322     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040463   | 0.040463   | 0.040463   |   0.0 |  0.23
Output  | 4.5688e-05 | 4.5688e-05 | 4.5688e-05 |   0.0 |  0.00
Modify  | 0.142      | 0.142      | 0.142      |   0.0 |  0.81
Other   |            | 0.02065    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139028.0 ave      139028 max      139028 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139028
Ave neighs/atom = 69.514000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.832894776502, Press = -0.60973866881046
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  246000   -8078.2389   -8078.2389   -8160.3124   -8160.3124    317.63307    317.63307    23365.564    23365.564    789.35185    789.35185 
  247000   -8076.4449   -8076.4449   -8156.7514   -8156.7514    310.79418    310.79418    23391.014    23391.014   -946.86265   -946.86265 
Loop time of 17.5139 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.098 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.31      | 17.31      | 17.31      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040776   | 0.040776   | 0.040776   |   0.0 |  0.23
Output  | 4.0085e-05 | 4.0085e-05 | 4.0085e-05 |   0.0 |  0.00
Modify  | 0.14201    | 0.14201    | 0.14201    |   0.0 |  0.81
Other   |            | 0.02058    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138860.0 ave      138860 max      138860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138860
Ave neighs/atom = 69.430000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.830644314079, Press = -0.430159081071477
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  247000   -8076.4449   -8076.4449   -8156.7514   -8156.7514    310.79418    310.79418    23391.014    23391.014   -946.86265   -946.86265 
  248000   -8078.5106   -8078.5106   -8159.7571   -8159.7571    314.43262    314.43262    23371.212    23371.212    353.46256    353.46256 
Loop time of 17.5236 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.868 hours/ns, 57.066 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.32      | 17.32      | 17.32      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04071    | 0.04071    | 0.04071    |   0.0 |  0.23
Output  | 4.5791e-05 | 4.5791e-05 | 4.5791e-05 |   0.0 |  0.00
Modify  | 0.14185    | 0.14185    | 0.14185    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138829.0 ave      138829 max      138829 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138829
Ave neighs/atom = 69.414500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.831284516694, Press = -0.194430990195422
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  248000   -8078.5106   -8078.5106   -8159.7571   -8159.7571    314.43262    314.43262    23371.212    23371.212    353.46256    353.46256 
  249000   -8077.4333   -8077.4333   -8159.8284   -8159.8284    318.87762    318.87762    23357.698    23357.698    1322.0324    1322.0324 
Loop time of 17.5128 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.865 hours/ns, 57.101 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.31      | 17.31      | 17.31      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040551   | 0.040551   | 0.040551   |   0.0 |  0.23
Output  | 3.9751e-05 | 3.9751e-05 | 3.9751e-05 |   0.0 |  0.00
Modify  | 0.14192    | 0.14192    | 0.14192    |   0.0 |  0.81
Other   |            | 0.02058    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138830.0 ave      138830 max      138830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138830
Ave neighs/atom = 69.415000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.831938306304, Press = -0.505838392013482
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  249000   -8077.4333   -8077.4333   -8159.8284   -8159.8284    318.87762    318.87762    23357.698    23357.698    1322.0324    1322.0324 
  250000   -8078.8607   -8078.8607   -8158.6077   -8158.6077    308.62905    308.62905    23411.057    23411.057   -2276.5428   -2276.5428 
Loop time of 17.5205 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.867 hours/ns, 57.076 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.317     | 17.317     | 17.317     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040551   | 0.040551   | 0.040551   |   0.0 |  0.23
Output  | 4.4857e-05 | 4.4857e-05 | 4.4857e-05 |   0.0 |  0.00
Modify  | 0.14191    | 0.14191    | 0.14191    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138869.0 ave      138869 max      138869 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138869
Ave neighs/atom = 69.434500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.846591288724, Press = -0.613206894297965
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  250000   -8078.8607   -8078.8607   -8158.6077   -8158.6077    308.62905    308.62905    23411.057    23411.057   -2276.5428   -2276.5428 
  251000   -8076.1458   -8076.1458   -8156.6694   -8156.6694     311.6346     311.6346    23399.127    23399.127    -1390.127    -1390.127 
Loop time of 17.5289 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.049 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.326     | 17.326     | 17.326     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040702   | 0.040702   | 0.040702   |   0.0 |  0.23
Output  | 4.5127e-05 | 4.5127e-05 | 4.5127e-05 |   0.0 |  0.00
Modify  | 0.14196    | 0.14196    | 0.14196    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138632.0 ave      138632 max      138632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138632
Ave neighs/atom = 69.316000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.849366046234, Press = 0.0222461388785076
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  251000   -8076.1458   -8076.1458   -8156.6694   -8156.6694     311.6346     311.6346    23399.127    23399.127    -1390.127    -1390.127 
  252000   -8080.4079   -8080.4079   -8160.9784   -8160.9784    311.81638    311.81638    23300.122    23300.122    4969.2686    4969.2686 
Loop time of 17.5035 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.132 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.301     | 17.301     | 17.301     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0404     | 0.0404     | 0.0404     |   0.0 |  0.23
Output  | 5.592e-05  | 5.592e-05  | 5.592e-05  |   0.0 |  0.00
Modify  | 0.14187    | 0.14187    | 0.14187    |   0.0 |  0.81
Other   |            | 0.02047    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5422.00 ave        5422 max        5422 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138761.0 ave      138761 max      138761 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138761
Ave neighs/atom = 69.380500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.853725436777, Press = -0.390156954965884
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  252000   -8080.4079   -8080.4079   -8160.9784   -8160.9784    311.81638    311.81638    23300.122    23300.122    4969.2686    4969.2686 
  253000   -8075.3818   -8075.3818   -8159.0588   -8159.0588    323.83834    323.83834    23382.395    23382.395   -112.71301   -112.71301 
Loop time of 17.5335 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.034 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.33      | 17.33      | 17.33      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040895   | 0.040895   | 0.040895   |   0.0 |  0.23
Output  | 4.5362e-05 | 4.5362e-05 | 4.5362e-05 |   0.0 |  0.00
Modify  | 0.14196    | 0.14196    | 0.14196    |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139129.0 ave      139129 max      139129 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139129
Ave neighs/atom = 69.564500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.854266813145, Press = -0.558056240660785
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  253000   -8075.3818   -8075.3818   -8159.0588   -8159.0588    323.83834    323.83834    23382.395    23382.395   -112.71301   -112.71301 
  254000   -8077.7179   -8077.7179   -8160.8086   -8160.8086     321.5694     321.5694    23382.555    23382.555   -571.45628   -571.45628 
Loop time of 17.5118 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.104 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.309     | 17.309     | 17.309     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040468   | 0.040468   | 0.040468   |   0.0 |  0.23
Output  | 3.9628e-05 | 3.9628e-05 | 3.9628e-05 |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138723.0 ave      138723 max      138723 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138723
Ave neighs/atom = 69.361500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.857170472751, Press = -0.195475905183315
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  254000   -8077.7179   -8077.7179   -8160.8086   -8160.8086     321.5694     321.5694    23382.555    23382.555   -571.45628   -571.45628 
  255000   -8077.0896   -8077.0896   -8157.7788   -8157.7788    312.27549    312.27549    23349.623    23349.623    1888.5685    1888.5685 
Loop time of 17.5278 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.052 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.325     | 17.325     | 17.325     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040465   | 0.040465   | 0.040465   |   0.0 |  0.23
Output  | 4.548e-05  | 4.548e-05  | 4.548e-05  |   0.0 |  0.00
Modify  | 0.14198    | 0.14198    | 0.14198    |   0.0 |  0.81
Other   |            | 0.02054    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138767.0 ave      138767 max      138767 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138767
Ave neighs/atom = 69.383500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.870156699254, Press = -0.330976153909286
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  255000   -8077.0896   -8077.0896   -8157.7788   -8157.7788    312.27549    312.27549    23349.623    23349.623    1888.5685    1888.5685 
  256000   -8076.6166   -8076.6166   -8158.0037   -8158.0037    314.97635    314.97635    23404.525    23404.525   -1570.1882   -1570.1882 
Loop time of 17.4967 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.154 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.293     | 17.293     | 17.293     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040834   | 0.040834   | 0.040834   |   0.0 |  0.23
Output  | 5.4338e-05 | 5.4338e-05 | 5.4338e-05 |   0.0 |  0.00
Modify  | 0.14193    | 0.14193    | 0.14193    |   0.0 |  0.81
Other   |            | 0.02068    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5464.00 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138982.0 ave      138982 max      138982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138982
Ave neighs/atom = 69.491000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.863775637338, Press = -0.732174501027723
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  256000   -8076.6166   -8076.6166   -8158.0037   -8158.0037    314.97635    314.97635    23404.525    23404.525   -1570.1882   -1570.1882 
  257000    -8081.393    -8081.393   -8160.0588   -8160.0588    304.44501    304.44501    23412.931    23412.931   -2583.2877   -2583.2877 
Loop time of 17.4893 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.858 hours/ns, 57.178 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.286     | 17.286     | 17.286     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040603   | 0.040603   | 0.040603   |   0.0 |  0.23
Output  | 4.4471e-05 | 4.4471e-05 | 4.4471e-05 |   0.0 |  0.00
Modify  | 0.14191    | 0.14191    | 0.14191    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138634.0 ave      138634 max      138634 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138634
Ave neighs/atom = 69.317000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.859587635437, Press = -0.160041030085319
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  257000    -8081.393    -8081.393   -8160.0588   -8160.0588    304.44501    304.44501    23412.931    23412.931   -2583.2877   -2583.2877 
  258000   -8078.1176   -8078.1176   -8157.0809   -8157.0809    305.59608    305.59608    23361.384    23361.384    1088.5041    1088.5041 
Loop time of 17.4994 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.145 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.296     | 17.296     | 17.296     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040644   | 0.040644   | 0.040644   |   0.0 |  0.23
Output  | 4.574e-05  | 4.574e-05  | 4.574e-05  |   0.0 |  0.00
Modify  | 0.14186    | 0.14186    | 0.14186    |   0.0 |  0.81
Other   |            | 0.02056    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138516.0 ave      138516 max      138516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138516
Ave neighs/atom = 69.258000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.847872215407, Press = -0.292664594947041
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  258000   -8078.1176   -8078.1176   -8157.0809   -8157.0809    305.59608    305.59608    23361.384    23361.384    1088.5041    1088.5041 
  259000   -8080.9208   -8080.9208   -8160.7454   -8160.7454    308.92966    308.92966    23389.622    23389.622   -1001.0607   -1001.0607 
Loop time of 17.5386 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.872 hours/ns, 57.017 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.335     | 17.335     | 17.335     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040853   | 0.040853   | 0.040853   |   0.0 |  0.23
Output  | 5.6935e-05 | 5.6935e-05 | 5.6935e-05 |   0.0 |  0.00
Modify  | 0.14203    | 0.14203    | 0.14203    |   0.0 |  0.81
Other   |            | 0.02066    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138991.0 ave      138991 max      138991 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138991
Ave neighs/atom = 69.495500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.845665832696, Press = -0.394763870117787
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  259000   -8080.9208   -8080.9208   -8160.7454   -8160.7454    308.92966    308.92966    23389.622    23389.622   -1001.0607   -1001.0607 
  260000   -8077.5499   -8077.5499   -8159.1406   -8159.1406    315.76447    315.76447    23366.613    23366.613    717.50944    717.50944 
Loop time of 17.5114 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.106 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040487   | 0.040487   | 0.040487   |   0.0 |  0.23
Output  | 4.5244e-05 | 4.5244e-05 | 4.5244e-05 |   0.0 |  0.00
Modify  | 0.14201    | 0.14201    | 0.14201    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138645.0 ave      138645 max      138645 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138645
Ave neighs/atom = 69.322500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.840575067253, Press = -0.209738625157827
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  260000   -8077.5499   -8077.5499   -8159.1406   -8159.1406    315.76447    315.76447    23366.613    23366.613    717.50944    717.50944 
  261000   -8078.5197   -8078.5197   -8160.4947   -8160.4947    317.25185    317.25185    23338.218    23338.218    2193.1719    2193.1719 
Loop time of 17.5035 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.131 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.301     | 17.301     | 17.301     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040525   | 0.040525   | 0.040525   |   0.0 |  0.23
Output  | 3.8716e-05 | 3.8716e-05 | 3.8716e-05 |   0.0 |  0.00
Modify  | 0.1417     | 0.1417     | 0.1417     |   0.0 |  0.81
Other   |            | 0.0205     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138924.0 ave      138924 max      138924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138924
Ave neighs/atom = 69.462000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.853198879994, Press = -0.491733256759882
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  261000   -8078.5197   -8078.5197   -8160.4947   -8160.4947    317.25185    317.25185    23338.218    23338.218    2193.1719    2193.1719 
  262000   -8076.8317   -8076.8317   -8156.2032   -8156.2032     307.1758     307.1758     23447.09     23447.09    -4779.573    -4779.573 
Loop time of 17.4963 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.155 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.293     | 17.293     | 17.293     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040542   | 0.040542   | 0.040542   |   0.0 |  0.23
Output  | 4.5689e-05 | 4.5689e-05 | 4.5689e-05 |   0.0 |  0.00
Modify  | 0.14207    | 0.14207    | 0.14207    |   0.0 |  0.81
Other   |            | 0.0206     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138924.0 ave      138924 max      138924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138924
Ave neighs/atom = 69.462000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.852742142417, Press = -0.617312182769396
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  262000   -8076.8317   -8076.8317   -8156.2032   -8156.2032     307.1758     307.1758     23447.09     23447.09    -4779.573    -4779.573 
  263000   -8081.8691   -8081.8691   -8161.8398   -8161.8398    309.49466    309.49466    23375.517    23375.517   -312.64645   -312.64645 
Loop time of 17.4881 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.858 hours/ns, 57.182 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.285     | 17.285     | 17.285     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040515   | 0.040515   | 0.040515   |   0.0 |  0.23
Output  | 4.4356e-05 | 4.4356e-05 | 4.4356e-05 |   0.0 |  0.00
Modify  | 0.1418     | 0.1418     | 0.1418     |   0.0 |  0.81
Other   |            | 0.02055    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138526.0 ave      138526 max      138526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138526
Ave neighs/atom = 69.263000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.848139614884, Press = -0.00597090305260943
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  263000   -8081.8691   -8081.8691   -8161.8398   -8161.8398    309.49466    309.49466    23375.517    23375.517   -312.64645   -312.64645 
  264000   -8078.4163   -8078.4163   -8160.4403   -8160.4403    317.44105    317.44105    23354.604    23354.604    1462.9103    1462.9103 
Loop time of 17.5143 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.096 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040542   | 0.040542   | 0.040542   |   0.0 |  0.23
Output  | 3.9179e-05 | 3.9179e-05 | 3.9179e-05 |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02058    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138726.0 ave      138726 max      138726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138726
Ave neighs/atom = 69.363000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.838757746412, Press = -0.342879562115881
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  264000   -8078.4163   -8078.4163   -8160.4403   -8160.4403    317.44105    317.44105    23354.604    23354.604    1462.9103    1462.9103 
  265000   -8078.9979   -8078.9979   -8157.9253   -8157.9253    305.45707    305.45707    23389.849    23389.849   -574.92241   -574.92241 
Loop time of 17.5113 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.106 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040842   | 0.040842   | 0.040842   |   0.0 |  0.23
Output  | 4.4798e-05 | 4.4798e-05 | 4.4798e-05 |   0.0 |  0.00
Modify  | 0.14206    | 0.14206    | 0.14206    |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138753.0 ave      138753 max      138753 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138753
Ave neighs/atom = 69.376500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.836792434812, Press = -0.49488404319759
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  265000   -8078.9979   -8078.9979   -8157.9253   -8157.9253    305.45707    305.45707    23389.849    23389.849   -574.92241   -574.92241 
  266000   -8075.3794   -8075.3794   -8157.5799   -8157.5799    318.12443    318.12443    23403.036    23403.036   -1748.1575   -1748.1575 
Loop time of 17.4994 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.145 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.296     | 17.296     | 17.296     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040428   | 0.040428   | 0.040428   |   0.0 |  0.23
Output  | 5.7371e-05 | 5.7371e-05 | 5.7371e-05 |   0.0 |  0.00
Modify  | 0.14205    | 0.14205    | 0.14205    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138726.0 ave      138726 max      138726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138726
Ave neighs/atom = 69.363000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.832106078498, Press = -0.153115716194814
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  266000   -8075.3794   -8075.3794   -8157.5799   -8157.5799    318.12443    318.12443    23403.036    23403.036   -1748.1575   -1748.1575 
  267000   -8079.8718   -8079.8718    -8159.855    -8159.855    309.54296    309.54296    23341.516    23341.516    2160.4026    2160.4026 
Loop time of 17.5234 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.868 hours/ns, 57.067 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.32      | 17.32      | 17.32      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0406     | 0.0406     | 0.0406     |   0.0 |  0.23
Output  | 4.4353e-05 | 4.4353e-05 | 4.4353e-05 |   0.0 |  0.00
Modify  | 0.14196    | 0.14196    | 0.14196    |   0.0 |  0.81
Other   |            | 0.02057    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138745.0 ave      138745 max      138745 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138745
Ave neighs/atom = 69.372500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.842274970187, Press = -0.244328554426159
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  267000   -8079.8718   -8079.8718    -8159.855    -8159.855    309.54296    309.54296    23341.516    23341.516    2160.4026    2160.4026 
  268000   -8073.7398   -8073.7398   -8156.8982   -8156.8982    321.83165    321.83165     23386.18     23386.18   -261.68063   -261.68063 
Loop time of 17.5323 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.038 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.329     | 17.329     | 17.329     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040397   | 0.040397   | 0.040397   |   0.0 |  0.23
Output  | 4.3888e-05 | 4.3888e-05 | 4.3888e-05 |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02052    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5429.00 ave        5429 max        5429 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138924.0 ave      138924 max      138924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138924
Ave neighs/atom = 69.462000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.849313809769, Press = -0.865450973432359
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  268000   -8073.7398   -8073.7398   -8156.8982   -8156.8982    321.83165    321.83165     23386.18     23386.18   -261.68063   -261.68063 
  269000    -8078.429    -8078.429   -8160.1233   -8160.1233    316.16562    316.16562    23406.301    23406.301   -2113.5569   -2113.5569 
Loop time of 17.4844 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.942 ns/day, 4.857 hours/ns, 57.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.281     | 17.281     | 17.281     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040333   | 0.040333   | 0.040333   |   0.0 |  0.23
Output  | 4.3186e-05 | 4.3186e-05 | 4.3186e-05 |   0.0 |  0.00
Modify  | 0.14204    | 0.14204    | 0.14204    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5432.00 ave        5432 max        5432 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138851.0 ave      138851 max      138851 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138851
Ave neighs/atom = 69.425500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.857415216204, Press = -0.176491455788455
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  269000    -8078.429    -8078.429   -8160.1233   -8160.1233    316.16562    316.16562    23406.301    23406.301   -2113.5569   -2113.5569 
  270000   -8077.5589   -8077.5589   -8159.2724   -8159.2724    316.23988    316.23988    23360.726    23360.726    1423.9184    1423.9184 
Loop time of 17.5022 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.862 hours/ns, 57.136 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.299     | 17.299     | 17.299     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040655   | 0.040655   | 0.040655   |   0.0 |  0.23
Output  | 4.4283e-05 | 4.4283e-05 | 4.4283e-05 |   0.0 |  0.00
Modify  | 0.14207    | 0.14207    | 0.14207    |   0.0 |  0.81
Other   |            | 0.02055    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138616.0 ave      138616 max      138616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138616
Ave neighs/atom = 69.308000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862685881344, Press = -0.162669562462055
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  270000   -8077.5589   -8077.5589   -8159.2724   -8159.2724    316.23988    316.23988    23360.726    23360.726    1423.9184    1423.9184 
  271000   -8082.9452   -8082.9452   -8160.2586   -8160.2586    299.21049    299.21049    23352.973    23352.973    1694.6958    1694.6958 
Loop time of 17.4928 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.859 hours/ns, 57.166 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.29      | 17.29      | 17.29      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040549   | 0.040549   | 0.040549   |   0.0 |  0.23
Output  | 3.9708e-05 | 3.9708e-05 | 3.9708e-05 |   0.0 |  0.00
Modify  | 0.14197    | 0.14197    | 0.14197    |   0.0 |  0.81
Other   |            | 0.02061    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138868.0 ave      138868 max      138868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138868
Ave neighs/atom = 69.434000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.854117058054, Press = -0.391815083221875
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  271000   -8082.9452   -8082.9452   -8160.2586   -8160.2586    299.21049    299.21049    23352.973    23352.973    1694.6958    1694.6958 
  272000   -8075.9761   -8075.9761   -8158.9566   -8158.9566    321.14282    321.14282    23391.752    23391.752   -780.69711   -780.69711 
Loop time of 17.5024 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.135 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.299     | 17.299     | 17.299     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04089    | 0.04089    | 0.04089    |   0.0 |  0.23
Output  | 4.5492e-05 | 4.5492e-05 | 4.5492e-05 |   0.0 |  0.00
Modify  | 0.14207    | 0.14207    | 0.14207    |   0.0 |  0.81
Other   |            | 0.02068    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138929.0 ave      138929 max      138929 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138929
Ave neighs/atom = 69.464500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.849473165425, Press = -0.472911633456722
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  272000   -8075.9761   -8075.9761   -8158.9566   -8158.9566    321.14282    321.14282    23391.752    23391.752   -780.69711   -780.69711 
  273000   -8075.5072   -8075.5072   -8158.8699   -8158.8699    322.62244    322.62244    23427.704    23427.704   -3362.1656   -3362.1656 
Loop time of 17.5114 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.106 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040496   | 0.040496   | 0.040496   |   0.0 |  0.23
Output  | 5.5462e-05 | 5.5462e-05 | 5.5462e-05 |   0.0 |  0.00
Modify  | 0.14191    | 0.14191    | 0.14191    |   0.0 |  0.81
Other   |            | 0.02058    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138698.0 ave      138698 max      138698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138698
Ave neighs/atom = 69.349000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.848357060278, Press = 0.023205894121761
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  273000   -8075.5072   -8075.5072   -8158.8699   -8158.8699    322.62244    322.62244    23427.704    23427.704   -3362.1656   -3362.1656 
  274000   -8075.5458   -8075.5458   -8157.1075   -8157.1075    315.65229    315.65229    23326.937    23326.937    3683.6977    3683.6977 
Loop time of 17.4914 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.859 hours/ns, 57.171 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.288     | 17.288     | 17.288     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040373   | 0.040373   | 0.040373   |   0.0 |  0.23
Output  | 4.3835e-05 | 4.3835e-05 | 4.3835e-05 |   0.0 |  0.00
Modify  | 0.14205    | 0.14205    | 0.14205    |   0.0 |  0.81
Other   |            | 0.0206     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5429.00 ave        5429 max        5429 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138705.0 ave      138705 max      138705 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138705
Ave neighs/atom = 69.352500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.853431428527, Press = -0.0607167496581485
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  274000   -8075.5458   -8075.5458   -8157.1075   -8157.1075    315.65229    315.65229    23326.937    23326.937    3683.6977    3683.6977 
  275000   -8083.2808   -8083.2808   -8159.5657   -8159.5657    295.23042    295.23042    23364.959    23364.959    253.87556    253.87556 
Loop time of 17.5176 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.085 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.314     | 17.314     | 17.314     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040718   | 0.040718   | 0.040718   |   0.0 |  0.23
Output  | 4.4881e-05 | 4.4881e-05 | 4.4881e-05 |   0.0 |  0.00
Modify  | 0.14195    | 0.14195    | 0.14195    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139099.0 ave      139099 max      139099 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139099
Ave neighs/atom = 69.549500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.847681504233, Press = -0.5302517521994
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  275000   -8083.2808   -8083.2808   -8159.5657   -8159.5657    295.23042    295.23042    23364.959    23364.959    253.87556    253.87556 
  276000   -8077.5982   -8077.5982   -8158.2704   -8158.2704    312.20968    312.20968    23403.002    23403.002   -1739.7946   -1739.7946 
Loop time of 17.5228 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.867 hours/ns, 57.069 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.32      | 17.32      | 17.32      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040552   | 0.040552   | 0.040552   |   0.0 |  0.23
Output  | 4.5511e-05 | 4.5511e-05 | 4.5511e-05 |   0.0 |  0.00
Modify  | 0.14194    | 0.14194    | 0.14194    |   0.0 |  0.81
Other   |            | 0.02058    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138998.0 ave      138998 max      138998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138998
Ave neighs/atom = 69.499000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.841569600574, Press = -0.186574400075786
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  276000   -8077.5982   -8077.5982   -8158.2704   -8158.2704    312.20968    312.20968    23403.002    23403.002   -1739.7946   -1739.7946 
  277000   -8079.4696   -8079.4696   -8159.9843   -8159.9843     311.6002     311.6002    23346.541    23346.541    1751.0606    1751.0606 
Loop time of 17.5188 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.082 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.316     | 17.316     | 17.316     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040571   | 0.040571   | 0.040571   |   0.0 |  0.23
Output  | 4.5741e-05 | 4.5741e-05 | 4.5741e-05 |   0.0 |  0.00
Modify  | 0.14195    | 0.14195    | 0.14195    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138657.0 ave      138657 max      138657 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138657
Ave neighs/atom = 69.328500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.839874665869, Press = -0.078774480934557
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  277000   -8079.4696   -8079.4696   -8159.9843   -8159.9843     311.6002     311.6002    23346.541    23346.541    1751.0606    1751.0606 
  278000   -8078.3167   -8078.3167    -8158.479    -8158.479    310.23612    310.23612    23382.635    23382.635   -437.26088   -437.26088 
Loop time of 17.5037 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.131 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.301     | 17.301     | 17.301     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040319   | 0.040319   | 0.040319   |   0.0 |  0.23
Output  | 3.9117e-05 | 3.9117e-05 | 3.9117e-05 |   0.0 |  0.00
Modify  | 0.14191    | 0.14191    | 0.14191    |   0.0 |  0.81
Other   |            | 0.02051    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138987.0 ave      138987 max      138987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138987
Ave neighs/atom = 69.493500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.849892407134, Press = -0.507850444201406
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  278000   -8078.3167   -8078.3167    -8158.479    -8158.479    310.23612    310.23612    23382.635    23382.635   -437.26088   -437.26088 
  279000   -8074.7618   -8074.7618   -8156.6059   -8156.6059    316.74514    316.74514    23400.511    23400.511   -1223.3311   -1223.3311 
Loop time of 17.5028 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.134 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.299     | 17.299     | 17.299     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040411   | 0.040411   | 0.040411   |   0.0 |  0.23
Output  | 6.3183e-05 | 6.3183e-05 | 6.3183e-05 |   0.0 |  0.00
Modify  | 0.14239    | 0.14239    | 0.14239    |   0.0 |  0.81
Other   |            | 0.02066    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5431.00 ave        5431 max        5431 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138830.0 ave      138830 max      138830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138830
Ave neighs/atom = 69.415000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.856741429807, Press = -0.165615064063139
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  279000   -8074.7618   -8074.7618   -8156.6059   -8156.6059    316.74514    316.74514    23400.511    23400.511   -1223.3311   -1223.3311 
  280000   -8079.9043   -8079.9043   -8158.7585   -8158.7585     305.1739     305.1739    23338.072    23338.072    2541.8618    2541.8618 
Loop time of 17.4979 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.861 hours/ns, 57.150 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.295     | 17.295     | 17.295     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040378   | 0.040378   | 0.040378   |   0.0 |  0.23
Output  | 4.2696e-05 | 4.2696e-05 | 4.2696e-05 |   0.0 |  0.00
Modify  | 0.1421     | 0.1421     | 0.1421     |   0.0 |  0.81
Other   |            | 0.02056    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5418.00 ave        5418 max        5418 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138756.0 ave      138756 max      138756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138756
Ave neighs/atom = 69.378000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.865197063074, Press = -0.062370160766064
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  280000   -8079.9043   -8079.9043   -8158.7585   -8158.7585     305.1739     305.1739    23338.072    23338.072    2541.8618    2541.8618 
  281000   -8077.3079   -8077.3079   -8159.8896   -8159.8896    319.59972    319.59972    23355.379    23355.379    1320.9958    1320.9958 
Loop time of 17.5328 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.036 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.33      | 17.33      | 17.33      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040453   | 0.040453   | 0.040453   |   0.0 |  0.23
Output  | 3.9315e-05 | 3.9315e-05 | 3.9315e-05 |   0.0 |  0.00
Modify  | 0.14187    | 0.14187    | 0.14187    |   0.0 |  0.81
Other   |            | 0.02067    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139049.0 ave      139049 max      139049 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139049
Ave neighs/atom = 69.524500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.871013830523, Press = -0.685938121578548
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  281000   -8077.3079   -8077.3079   -8159.8896   -8159.8896    319.59972    319.59972    23355.379    23355.379    1320.9958    1320.9958 
  282000   -8081.2619   -8081.2619   -8159.0491   -8159.0491    301.04452    301.04452    23414.771    23414.771   -2632.0778   -2632.0778 
Loop time of 17.5142 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.097 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040662   | 0.040662   | 0.040662   |   0.0 |  0.23
Output  | 4.585e-05  | 4.585e-05  | 4.585e-05  |   0.0 |  0.00
Modify  | 0.14194    | 0.14194    | 0.14194    |   0.0 |  0.81
Other   |            | 0.02065    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138788.0 ave      138788 max      138788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138788
Ave neighs/atom = 69.394000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.870340678914, Press = -0.270945893164343
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  282000   -8081.2619   -8081.2619   -8159.0491   -8159.0491    301.04452    301.04452    23414.771    23414.771   -2632.0778   -2632.0778 
  283000    -8075.755    -8075.755   -8158.0462   -8158.0462    318.47522    318.47522    23366.109    23366.109    1021.1548    1021.1548 
Loop time of 17.4856 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.857 hours/ns, 57.190 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.282     | 17.282     | 17.282     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040719   | 0.040719   | 0.040719   |   0.0 |  0.23
Output  | 6.2117e-05 | 6.2117e-05 | 6.2117e-05 |   0.0 |  0.00
Modify  | 0.14218    | 0.14218    | 0.14218    |   0.0 |  0.81
Other   |            | 0.02063    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5427.00 ave        5427 max        5427 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138521.0 ave      138521 max      138521 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138521
Ave neighs/atom = 69.260500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.87014610925, Press = -0.130340117253536
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  283000    -8075.755    -8075.755   -8158.0462   -8158.0462    318.47522    318.47522    23366.109    23366.109    1021.1548    1021.1548 
  284000   -8079.3245   -8079.3245   -8159.4184   -8159.4184    309.97174    309.97174    23367.709    23367.709    652.27391    652.27391 
Loop time of 17.5146 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.095 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040602   | 0.040602   | 0.040602   |   0.0 |  0.23
Output  | 6.1207e-05 | 6.1207e-05 | 6.1207e-05 |   0.0 |  0.00
Modify  | 0.14186    | 0.14186    | 0.14186    |   0.0 |  0.81
Other   |            | 0.02065    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138865.0 ave      138865 max      138865 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138865
Ave neighs/atom = 69.432500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.873311107496, Press = -0.235780198150863
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  284000   -8079.3245   -8079.3245   -8159.4184   -8159.4184    309.97174    309.97174    23367.709    23367.709    652.27391    652.27391 
  285000   -8078.6181   -8078.6181   -8160.5135   -8160.5135    316.94393    316.94393    23372.818    23372.818    373.03001    373.03001 
Loop time of 17.5071 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.120 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.304     | 17.304     | 17.304     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040488   | 0.040488   | 0.040488   |   0.0 |  0.23
Output  | 7.7202e-05 | 7.7202e-05 | 7.7202e-05 |   0.0 |  0.00
Modify  | 0.14231    | 0.14231    | 0.14231    |   0.0 |  0.81
Other   |            | 0.02064    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5438.00 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138822.0 ave      138822 max      138822 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138822
Ave neighs/atom = 69.411000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88320782077, Press = -0.285479149989066
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  285000   -8078.6181   -8078.6181   -8160.5135   -8160.5135    316.94393    316.94393    23372.818    23372.818    373.03001    373.03001 
  286000   -8075.7011   -8075.7011   -8158.4672   -8158.4672    320.31331    320.31331    23401.619    23401.619   -1397.4944   -1397.4944 
Loop time of 17.4826 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.942 ns/day, 4.856 hours/ns, 57.200 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.279     | 17.279     | 17.279     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04054    | 0.04054    | 0.04054    |   0.0 |  0.23
Output  | 9.2655e-05 | 9.2655e-05 | 9.2655e-05 |   0.0 |  0.00
Modify  | 0.14216    | 0.14216    | 0.14216    |   0.0 |  0.81
Other   |            | 0.02069    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138782.0 ave      138782 max      138782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138782
Ave neighs/atom = 69.391000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889010270584, Press = -0.262631656969531
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  286000   -8075.7011   -8075.7011   -8158.4672   -8158.4672    320.31331    320.31331    23401.619    23401.619   -1397.4944   -1397.4944 
  287000   -8081.4017   -8081.4017   -8160.8672   -8160.8672    307.53988    307.53988    23353.582    23353.582    1488.9667    1488.9667 
Loop time of 17.5103 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.109 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.307     | 17.307     | 17.307     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040606   | 0.040606   | 0.040606   |   0.0 |  0.23
Output  | 6.0086e-05 | 6.0086e-05 | 6.0086e-05 |   0.0 |  0.00
Modify  | 0.14212    | 0.14212    | 0.14212    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138633.0 ave      138633 max      138633 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138633
Ave neighs/atom = 69.316500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.888178676109, Press = -0.0859070659333789
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  287000   -8081.4017   -8081.4017   -8160.8672   -8160.8672    307.53988    307.53988    23353.582    23353.582    1488.9667    1488.9667 
  288000   -8077.1424   -8077.1424   -8157.1791   -8157.1791    309.75034    309.75034    23371.551    23371.551    581.76904    581.76904 
Loop time of 17.5133 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.099 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.31      | 17.31      | 17.31      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040779   | 0.040779   | 0.040779   |   0.0 |  0.23
Output  | 6.1045e-05 | 6.1045e-05 | 6.1045e-05 |   0.0 |  0.00
Modify  | 0.14194    | 0.14194    | 0.14194    |   0.0 |  0.81
Other   |            | 0.02065    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138901.0 ave      138901 max      138901 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138901
Ave neighs/atom = 69.450500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.879581935945, Press = -0.431627569472885
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  288000   -8077.1424   -8077.1424   -8157.1791   -8157.1791    309.75034    309.75034    23371.551    23371.551    581.76904    581.76904 
  289000   -8082.3843   -8082.3843   -8161.8035   -8161.8035    307.36055    307.36055    23416.235    23416.235    -3020.326    -3020.326 
Loop time of 17.5129 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.865 hours/ns, 57.101 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.309     | 17.309     | 17.309     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040748   | 0.040748   | 0.040748   |   0.0 |  0.23
Output  | 6.0143e-05 | 6.0143e-05 | 6.0143e-05 |   0.0 |  0.00
Modify  | 0.14212    | 0.14212    | 0.14212    |   0.0 |  0.81
Other   |            | 0.02059    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138875.0 ave      138875 max      138875 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138875
Ave neighs/atom = 69.437500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.875473329838, Press = -0.224406210519535
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  289000   -8082.3843   -8082.3843   -8161.8035   -8161.8035    307.36055    307.36055    23416.235    23416.235    -3020.326    -3020.326 
  290000   -8076.7656   -8076.7656   -8159.2546   -8159.2546     319.2411     319.2411    23364.983    23364.983    1056.2215    1056.2215 
Loop time of 17.4884 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.858 hours/ns, 57.181 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.285     | 17.285     | 17.285     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040479   | 0.040479   | 0.040479   |   0.0 |  0.23
Output  | 5.9926e-05 | 5.9926e-05 | 5.9926e-05 |   0.0 |  0.00
Modify  | 0.14201    | 0.14201    | 0.14201    |   0.0 |  0.81
Other   |            | 0.02056    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5432.00 ave        5432 max        5432 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138489.0 ave      138489 max      138489 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138489
Ave neighs/atom = 69.244500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.869919124189, Press = 0.178553858891889
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  290000   -8076.7656   -8076.7656   -8159.2546   -8159.2546     319.2411     319.2411    23364.983    23364.983    1056.2215    1056.2215 
  291000   -8081.4102   -8081.4102   -8160.3977   -8160.3977    305.68981    305.68981    23369.329    23369.329    292.42579    292.42579 
Loop time of 17.5407 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.872 hours/ns, 57.010 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.338     | 17.338     | 17.338     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040402   | 0.040402   | 0.040402   |   0.0 |  0.23
Output  | 6.1137e-05 | 6.1137e-05 | 6.1137e-05 |   0.0 |  0.00
Modify  | 0.14208    | 0.14208    | 0.14208    |   0.0 |  0.81
Other   |            | 0.0206     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138823.0 ave      138823 max      138823 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138823
Ave neighs/atom = 69.411500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862943670152, Press = -0.363363379687374
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  291000   -8081.4102   -8081.4102   -8160.3977   -8160.3977    305.68981    305.68981    23369.329    23369.329    292.42579    292.42579 
  292000   -8076.5002   -8076.5002   -8158.0646   -8158.0646    315.66279    315.66279    23396.518    23396.518   -1410.9919   -1410.9919 
Loop time of 17.477 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.944 ns/day, 4.855 hours/ns, 57.218 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.274     | 17.274     | 17.274     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040249   | 0.040249   | 0.040249   |   0.0 |  0.23
Output  | 5.897e-05  | 5.897e-05  | 5.897e-05  |   0.0 |  0.00
Modify  | 0.14221    | 0.14221    | 0.14221    |   0.0 |  0.81
Other   |            | 0.02062    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5423.00 ave        5423 max        5423 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138786.0 ave      138786 max      138786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138786
Ave neighs/atom = 69.393000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.855361218427, Press = -0.324994105557063
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  292000   -8076.5002   -8076.5002   -8158.0646   -8158.0646    315.66279    315.66279    23396.518    23396.518   -1410.9919   -1410.9919 
  293000   -8076.6141   -8076.6141   -8156.9121   -8156.9121    310.76178    310.76178    23365.346    23365.346    842.88061    842.88061 
Loop time of 17.5356 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.927 ns/day, 4.871 hours/ns, 57.027 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.332     | 17.332     | 17.332     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040553   | 0.040553   | 0.040553   |   0.0 |  0.23
Output  | 0.00015225 | 0.00015225 | 0.00015225 |   0.0 |  0.00
Modify  | 0.14218    | 0.14218    | 0.14218    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138795.0 ave      138795 max      138795 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138795
Ave neighs/atom = 69.397500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.85631952959, Press = -0.0495507177339928
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  293000   -8076.6141   -8076.6141   -8156.9121   -8156.9121    310.76178    310.76178    23365.346    23365.346    842.88061    842.88061 
  294000     -8075.01     -8075.01   -8158.0526   -8158.0526    321.38338    321.38338    23372.208    23372.208    714.76252    714.76252 
Loop time of 17.5114 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.106 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04053    | 0.04053    | 0.04053    |   0.0 |  0.23
Output  | 5.8983e-05 | 5.8983e-05 | 5.8983e-05 |   0.0 |  0.00
Modify  | 0.14166    | 0.14166    | 0.14166    |   0.0 |  0.81
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138974.0 ave      138974 max      138974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138974
Ave neighs/atom = 69.487000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.857274579677, Press = -0.290871134306814
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  294000     -8075.01     -8075.01   -8158.0526   -8158.0526    321.38338    321.38338    23372.208    23372.208    714.76252    714.76252 
  295000   -8078.7806   -8078.7806   -8159.5265   -8159.5265    312.49497    312.49497    23422.292    23422.292   -3157.3172   -3157.3172 
Loop time of 17.5081 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.117 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.305     | 17.305     | 17.305     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040597   | 0.040597   | 0.040597   |   0.0 |  0.23
Output  | 5.7977e-05 | 5.7977e-05 | 5.7977e-05 |   0.0 |  0.00
Modify  | 0.14197    | 0.14197    | 0.14197    |   0.0 |  0.81
Other   |            | 0.02086    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138861.0 ave      138861 max      138861 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138861
Ave neighs/atom = 69.430500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.868224861083, Press = -0.234973712164884
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  295000   -8078.7806   -8078.7806   -8159.5265   -8159.5265    312.49497    312.49497    23422.292    23422.292   -3157.3172   -3157.3172 
  296000   -8074.3234   -8074.3234   -8157.1589   -8157.1589    320.58192    320.58192    23333.301    23333.301    3135.1613    3135.1613 
Loop time of 17.5097 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.111 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.306     | 17.306     | 17.306     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040605   | 0.040605   | 0.040605   |   0.0 |  0.23
Output  | 5.8351e-05 | 5.8351e-05 | 5.8351e-05 |   0.0 |  0.00
Modify  | 0.14171    | 0.14171    | 0.14171    |   0.0 |  0.81
Other   |            | 0.02092    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5464.00 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138534.0 ave      138534 max      138534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138534
Ave neighs/atom = 69.267000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.876644161427, Press = 0.119087953808554
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  296000   -8074.3234   -8074.3234   -8157.1589   -8157.1589    320.58192    320.58192    23333.301    23333.301    3135.1613    3135.1613 
  297000   -8077.4333   -8077.4333   -8159.6062   -8159.6062    318.01767    318.01767    23358.669    23358.669     868.1411     868.1411 
Loop time of 17.5406 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.872 hours/ns, 57.010 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.337     | 17.337     | 17.337     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040632   | 0.040632   | 0.040632   |   0.0 |  0.23
Output  | 5.9676e-05 | 5.9676e-05 | 5.9676e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.02094    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139229.0 ave      139229 max      139229 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139229
Ave neighs/atom = 69.614500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.877304116273, Press = -0.378664147159421
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  297000   -8077.4333   -8077.4333   -8159.6062   -8159.6062    318.01767    318.01767    23358.669    23358.669     868.1411     868.1411 
  298000   -8081.2981   -8081.2981    -8161.657    -8161.657    310.99743    310.99743    23387.441    23387.441   -1411.2464   -1411.2464 
Loop time of 17.5194 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.080 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.316     | 17.316     | 17.316     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040607   | 0.040607   | 0.040607   |   0.0 |  0.23
Output  | 8.4192e-05 | 8.4192e-05 | 8.4192e-05 |   0.0 |  0.00
Modify  | 0.14192    | 0.14192    | 0.14192    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138900.0 ave      138900 max      138900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138900
Ave neighs/atom = 69.450000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.875004812602, Press = -0.377839827088512
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  298000   -8081.2981   -8081.2981    -8161.657    -8161.657    310.99743    310.99743    23387.441    23387.441   -1411.2464   -1411.2464 
  299000   -8077.7768   -8077.7768    -8159.579    -8159.579    316.58328    316.58328    23375.377    23375.377    64.464775    64.464775 
Loop time of 17.4988 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.147 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.296     | 17.296     | 17.296     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040549   | 0.040549   | 0.040549   |   0.0 |  0.23
Output  | 5.8377e-05 | 5.8377e-05 | 5.8377e-05 |   0.0 |  0.00
Modify  | 0.1417     | 0.1417     | 0.1417     |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138753.0 ave      138753 max      138753 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138753
Ave neighs/atom = 69.376500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.866058144412, Press = -0.0224298771521375
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  299000   -8077.7768   -8077.7768    -8159.579    -8159.579    316.58328    316.58328    23375.377    23375.377    64.464775    64.464775 
  300000   -8081.9168   -8081.9168   -8159.7858   -8159.7858    301.36122    301.36122    23331.768    23331.768     2816.163     2816.163 
Loop time of 17.4987 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.861 hours/ns, 57.147 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.295     | 17.295     | 17.295     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040969   | 0.040969   | 0.040969   |   0.0 |  0.23
Output  | 5.6809e-05 | 5.6809e-05 | 5.6809e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138852.0 ave      138852 max      138852 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138852
Ave neighs/atom = 69.426000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.863982469109, Press = -0.329922603627882
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  300000   -8081.9168   -8081.9168   -8159.7858   -8159.7858    301.36122    301.36122    23331.768    23331.768     2816.163     2816.163 
  301000   -8076.0501   -8076.0501   -8156.9543   -8156.9543    313.10767    313.10767    23404.532    23404.532   -1707.5946   -1707.5946 
Loop time of 17.5078 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.117 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.304     | 17.304     | 17.304     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040728   | 0.040728   | 0.040728   |   0.0 |  0.23
Output  | 7.8193e-05 | 7.8193e-05 | 7.8193e-05 |   0.0 |  0.00
Modify  | 0.14161    | 0.14161    | 0.14161    |   0.0 |  0.81
Other   |            | 0.02092    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139091.0 ave      139091 max      139091 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139091
Ave neighs/atom = 69.545500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.855060400576, Press = -0.507105070337219
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  301000   -8076.0501   -8076.0501   -8156.9543   -8156.9543    313.10767    313.10767    23404.532    23404.532   -1707.5946   -1707.5946 
  302000   -8078.4061   -8078.4061   -8160.2378   -8160.2378    316.69715    316.69715    23390.016    23390.016   -905.49526   -905.49526 
Loop time of 17.514 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.097 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040669   | 0.040669   | 0.040669   |   0.0 |  0.23
Output  | 5.859e-05  | 5.859e-05  | 5.859e-05  |   0.0 |  0.00
Modify  | 0.14184    | 0.14184    | 0.14184    |   0.0 |  0.81
Other   |            | 0.02085    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5434.00 ave        5434 max        5434 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138786.0 ave      138786 max      138786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138786
Ave neighs/atom = 69.393000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.857500149474, Press = 0.0203545881348863
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  302000   -8078.4061   -8078.4061   -8160.2378   -8160.2378    316.69715    316.69715    23390.016    23390.016   -905.49526   -905.49526 
  303000   -8077.1285   -8077.1285   -8159.9895   -8159.9895    320.68035    320.68035    23322.946    23322.946    3558.1001    3558.1001 
Loop time of 17.5258 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.059 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.322     | 17.322     | 17.322     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040667   | 0.040667   | 0.040667   |   0.0 |  0.23
Output  | 5.8146e-05 | 5.8146e-05 | 5.8146e-05 |   0.0 |  0.00
Modify  | 0.14184    | 0.14184    | 0.14184    |   0.0 |  0.81
Other   |            | 0.02086    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138654.0 ave      138654 max      138654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138654
Ave neighs/atom = 69.327000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.870497600185, Press = -0.253395001110689
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  303000   -8077.1285   -8077.1285   -8159.9895   -8159.9895    320.68035    320.68035    23322.946    23322.946    3558.1001    3558.1001 
  304000   -8080.6054   -8080.6054   -8158.8897   -8158.8897    302.96825    302.96825    23397.945    23397.945   -1403.8965   -1403.8965 
Loop time of 17.524 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.065 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.321     | 17.321     | 17.321     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040589   | 0.040589   | 0.040589   |   0.0 |  0.23
Output  | 8.3587e-05 | 8.3587e-05 | 8.3587e-05 |   0.0 |  0.00
Modify  | 0.14178    | 0.14178    | 0.14178    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139097.0 ave      139097 max      139097 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139097
Ave neighs/atom = 69.548500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.867836245877, Press = -0.351164180058017
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  304000   -8080.6054   -8080.6054   -8158.8897   -8158.8897    302.96825    302.96825    23397.945    23397.945   -1403.8965   -1403.8965 
  305000   -8077.1326   -8077.1326   -8158.3732   -8158.3732    314.40956    314.40956    23375.278    23375.278   -134.34311   -134.34311 
Loop time of 17.487 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.858 hours/ns, 57.185 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.284     | 17.284     | 17.284     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040698   | 0.040698   | 0.040698   |   0.0 |  0.23
Output  | 5.7745e-05 | 5.7745e-05 | 5.7745e-05 |   0.0 |  0.00
Modify  | 0.14173    | 0.14173    | 0.14173    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5462.00 ave        5462 max        5462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138710.0 ave      138710 max      138710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138710
Ave neighs/atom = 69.355000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.86156721094, Press = -0.152798003861184
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  305000   -8077.1326   -8077.1326   -8158.3732   -8158.3732    314.40956    314.40956    23375.278    23375.278   -134.34311   -134.34311 
  306000   -8079.7931   -8079.7931   -8160.0494   -8160.0494    310.60006    310.60006    23368.011    23368.011    476.92182    476.92182 
Loop time of 17.5259 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.059 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.323     | 17.323     | 17.323     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04064    | 0.04064    | 0.04064    |   0.0 |  0.23
Output  | 6.0081e-05 | 6.0081e-05 | 6.0081e-05 |   0.0 |  0.00
Modify  | 0.14174    | 0.14174    | 0.14174    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138932.0 ave      138932 max      138932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138932
Ave neighs/atom = 69.466000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.863896375073, Press = -0.358775542905968
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  306000   -8079.7931   -8079.7931   -8160.0494   -8160.0494    310.60006    310.60006    23368.011    23368.011    476.92182    476.92182 
  307000   -8073.1895   -8073.1895    -8156.501    -8156.501    322.42422    322.42422    23408.488    23408.488   -1849.5063   -1849.5063 
Loop time of 17.4896 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.858 hours/ns, 57.177 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.286     | 17.286     | 17.286     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040679   | 0.040679   | 0.040679   |   0.0 |  0.23
Output  | 8.0542e-05 | 8.0542e-05 | 8.0542e-05 |   0.0 |  0.00
Modify  | 0.14187    | 0.14187    | 0.14187    |   0.0 |  0.81
Other   |            | 0.02089    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138787.0 ave      138787 max      138787 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138787
Ave neighs/atom = 69.393500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.867171696466, Press = -0.0841738674841904
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  307000   -8073.1895   -8073.1895    -8156.501    -8156.501    322.42422    322.42422    23408.488    23408.488   -1849.5063   -1849.5063 
  308000   -8078.0193   -8078.0193   -8160.8018   -8160.8018    320.37686    320.37686    23291.275    23291.275     5488.726     5488.726 
Loop time of 17.5117 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.105 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040614   | 0.040614   | 0.040614   |   0.0 |  0.23
Output  | 5.9601e-05 | 5.9601e-05 | 5.9601e-05 |   0.0 |  0.00
Modify  | 0.1418     | 0.1418     | 0.1418     |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138758.0 ave      138758 max      138758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138758
Ave neighs/atom = 69.379000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.879400373532, Press = 0.140841125730905
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  308000   -8078.0193   -8078.0193   -8160.8018   -8160.8018    320.37686    320.37686    23291.275    23291.275     5488.726     5488.726 
  309000   -8078.5448   -8078.5448   -8159.4114   -8159.4114    312.96208    312.96208    23361.977    23361.977    837.63432    837.63432 
Loop time of 17.5002 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.142 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040473   | 0.040473   | 0.040473   |   0.0 |  0.23
Output  | 5.9223e-05 | 5.9223e-05 | 5.9223e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.0208     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139353.0 ave      139353 max      139353 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139353
Ave neighs/atom = 69.676500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.879748358455, Press = -0.411315072399617
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  309000   -8078.5448   -8078.5448   -8159.4114   -8159.4114    312.96208    312.96208    23361.977    23361.977    837.63432    837.63432 
  310000    -8078.224    -8078.224   -8157.6058   -8157.6058    307.21579    307.21579    23412.765    23412.765   -2530.4482   -2530.4482 
Loop time of 17.5029 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.133 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040555   | 0.040555   | 0.040555   |   0.0 |  0.23
Output  | 6.0711e-05 | 6.0711e-05 | 6.0711e-05 |   0.0 |  0.00
Modify  | 0.14175    | 0.14175    | 0.14175    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138781.0 ave      138781 max      138781 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138781
Ave neighs/atom = 69.390500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.875737416901, Press = -0.226182440446955
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  310000    -8078.224    -8078.224   -8157.6058   -8157.6058    307.21579    307.21579    23412.765    23412.765   -2530.4482   -2530.4482 
  311000   -8078.7433   -8078.7433   -8161.3286   -8161.3286    319.61387    319.61387    23349.965    23349.965    1302.6347    1302.6347 
Loop time of 17.4942 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.859 hours/ns, 57.162 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.291     | 17.291     | 17.291     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040608   | 0.040608   | 0.040608   |   0.0 |  0.23
Output  | 5.7887e-05 | 5.7887e-05 | 5.7887e-05 |   0.0 |  0.00
Modify  | 0.14169    | 0.14169    | 0.14169    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5439.00 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138684.0 ave      138684 max      138684 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138684
Ave neighs/atom = 69.342000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.869868195657, Press = -0.119832942489084
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  311000   -8078.7433   -8078.7433   -8161.3286   -8161.3286    319.61387    319.61387    23349.965    23349.965    1302.6347    1302.6347 
  312000   -8074.6658   -8074.6658   -8156.6897   -8156.6897    317.44085    317.44085    23365.416    23365.416    890.19177    890.19177 
Loop time of 17.496 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.156 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.293     | 17.293     | 17.293     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0408     | 0.0408     | 0.0408     |   0.0 |  0.23
Output  | 5.9062e-05 | 5.9062e-05 | 5.9062e-05 |   0.0 |  0.00
Modify  | 0.14179    | 0.14179    | 0.14179    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5462.00 ave        5462 max        5462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138844.0 ave      138844 max      138844 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138844
Ave neighs/atom = 69.422000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.874456247211, Press = -0.274003081205094
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  312000   -8074.6658   -8074.6658   -8156.6897   -8156.6897    317.44085    317.44085    23365.416    23365.416    890.19177    890.19177 
  313000   -8079.5405   -8079.5405   -8159.1155   -8159.1155    307.96355    307.96355    23391.439    23391.439   -1272.9798   -1272.9798 
Loop time of 17.5015 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.862 hours/ns, 57.138 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.298     | 17.298     | 17.298     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040493   | 0.040493   | 0.040493   |   0.0 |  0.23
Output  | 5.7965e-05 | 5.7965e-05 | 5.7965e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138960.0 ave      138960 max      138960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138960
Ave neighs/atom = 69.480000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.878494076731, Press = -0.233350039247598
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  313000   -8079.5405   -8079.5405   -8159.1155   -8159.1155    307.96355    307.96355    23391.439    23391.439   -1272.9798   -1272.9798 
  314000   -8075.2137   -8075.2137   -8158.7825   -8158.7825    323.41971    323.41971    23382.211    23382.211   -551.49734   -551.49734 
Loop time of 17.5031 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.133 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040602   | 0.040602   | 0.040602   |   0.0 |  0.23
Output  | 9.6399e-05 | 9.6399e-05 | 9.6399e-05 |   0.0 |  0.00
Modify  | 0.1418     | 0.1418     | 0.1418     |   0.0 |  0.81
Other   |            | 0.02093    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138706.0 ave      138706 max      138706 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138706
Ave neighs/atom = 69.353000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889290229241, Press = -0.0746434621636015
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  314000   -8075.2137   -8075.2137   -8158.7825   -8158.7825    323.41971    323.41971    23382.211    23382.211   -551.49734   -551.49734 
  315000   -8080.0663   -8080.0663     -8158.94     -8158.94    305.24942    305.24942    23320.876    23320.876    3464.8131    3464.8131 
Loop time of 17.4883 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.858 hours/ns, 57.181 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.285     | 17.285     | 17.285     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040758   | 0.040758   | 0.040758   |   0.0 |  0.23
Output  | 5.7615e-05 | 5.7615e-05 | 5.7615e-05 |   0.0 |  0.00
Modify  | 0.14166    | 0.14166    | 0.14166    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138780.0 ave      138780 max      138780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138780
Ave neighs/atom = 69.390000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.891728050419, Press = -0.363087449920132
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  315000   -8080.0663   -8080.0663     -8158.94     -8158.94    305.24942    305.24942    23320.876    23320.876    3464.8131    3464.8131 
  316000   -8076.2835   -8076.2835   -8158.3527   -8158.3527    317.61638    317.61638    23406.597    23406.597   -1911.0316   -1911.0316 
Loop time of 17.5122 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.865 hours/ns, 57.103 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.309     | 17.309     | 17.309     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040627   | 0.040627   | 0.040627   |   0.0 |  0.23
Output  | 5.8084e-05 | 5.8084e-05 | 5.8084e-05 |   0.0 |  0.00
Modify  | 0.14175    | 0.14175    | 0.14175    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139204.0 ave      139204 max      139204 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139204
Ave neighs/atom = 69.602000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.894136848602, Press = -0.379869748717017
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  316000   -8076.2835   -8076.2835   -8158.3527   -8158.3527    317.61638    317.61638    23406.597    23406.597   -1911.0316   -1911.0316 
  317000   -8079.1598   -8079.1598   -8157.2758   -8157.2758    302.31722    302.31722    23378.342    23378.342   -202.87066   -202.87066 
Loop time of 17.4959 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.156 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.292     | 17.292     | 17.292     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040745   | 0.040745   | 0.040745   |   0.0 |  0.23
Output  | 5.8473e-05 | 5.8473e-05 | 5.8473e-05 |   0.0 |  0.00
Modify  | 0.14196    | 0.14196    | 0.14196    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138607.0 ave      138607 max      138607 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138607
Ave neighs/atom = 69.303500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.899330136113, Press = 0.00291643248186388
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  317000   -8079.1598   -8079.1598   -8157.2758   -8157.2758    302.31722    302.31722    23378.342    23378.342   -202.87066   -202.87066 
  318000   -8073.7659   -8073.7659   -8157.1554   -8157.1554    322.72608    322.72608    23368.598    23368.598    884.93648    884.93648 
Loop time of 17.5078 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.117 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.304     | 17.304     | 17.304     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040725   | 0.040725   | 0.040725   |   0.0 |  0.23
Output  | 5.8867e-05 | 5.8867e-05 | 5.8867e-05 |   0.0 |  0.00
Modify  | 0.14185    | 0.14185    | 0.14185    |   0.0 |  0.81
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138906.0 ave      138906 max      138906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138906
Ave neighs/atom = 69.453000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.910441532151, Press = -0.205769056013878
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  318000   -8073.7659   -8073.7659   -8157.1554   -8157.1554    322.72608    322.72608    23368.598    23368.598    884.93648    884.93648 
  319000    -8077.372    -8077.372   -8158.7807   -8158.7807    315.05995    315.05995    23375.758    23375.758   -64.377023   -64.377023 
Loop time of 17.4937 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.859 hours/ns, 57.163 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.29      | 17.29      | 17.29      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04058    | 0.04058    | 0.04058    |   0.0 |  0.23
Output  | 5.8074e-05 | 5.8074e-05 | 5.8074e-05 |   0.0 |  0.00
Modify  | 0.14182    | 0.14182    | 0.14182    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138930.0 ave      138930 max      138930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138930
Ave neighs/atom = 69.465000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.912401926123, Press = -0.19527985234451
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  319000    -8077.372    -8077.372   -8158.7807   -8158.7807    315.05995    315.05995    23375.758    23375.758   -64.377023   -64.377023 
  320000   -8083.2188   -8083.2188   -8161.8695   -8161.8695     304.3863     304.3863    23373.499    23373.499   -245.35138   -245.35138 
Loop time of 17.5478 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.987 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.344     | 17.344     | 17.344     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040781   | 0.040781   | 0.040781   |   0.0 |  0.23
Output  | 5.8732e-05 | 5.8732e-05 | 5.8732e-05 |   0.0 |  0.00
Modify  | 0.14187    | 0.14187    | 0.14187    |   0.0 |  0.81
Other   |            | 0.02091    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138780.0 ave      138780 max      138780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138780
Ave neighs/atom = 69.390000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.90845247357, Press = -0.232026442883438
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  320000   -8083.2188   -8083.2188   -8161.8695   -8161.8695     304.3863     304.3863    23373.499    23373.499   -245.35138   -245.35138 
  321000   -8076.6776   -8076.6776    -8157.165    -8157.165    311.49461    311.49461     23396.46     23396.46   -1049.4465   -1049.4465 
Loop time of 17.5094 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.864 hours/ns, 57.112 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.306     | 17.306     | 17.306     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040496   | 0.040496   | 0.040496   |   0.0 |  0.23
Output  | 7.856e-05  | 7.856e-05  | 7.856e-05  |   0.0 |  0.00
Modify  | 0.14179    | 0.14179    | 0.14179    |   0.0 |  0.81
Other   |            | 0.02094    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138753.0 ave      138753 max      138753 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138753
Ave neighs/atom = 69.376500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.902783948912, Press = -0.164330165381995
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  321000   -8076.6776   -8076.6776    -8157.165    -8157.165    311.49461    311.49461     23396.46     23396.46   -1049.4465   -1049.4465 
  322000    -8081.982    -8081.982   -8162.3899   -8162.3899    311.18681    311.18681    23360.524    23360.524    449.56104    449.56104 
Loop time of 17.497 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.153 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.294     | 17.294     | 17.294     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040544   | 0.040544   | 0.040544   |   0.0 |  0.23
Output  | 5.9294e-05 | 5.9294e-05 | 5.9294e-05 |   0.0 |  0.00
Modify  | 0.14172    | 0.14172    | 0.14172    |   0.0 |  0.81
Other   |            | 0.02082    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138622.0 ave      138622 max      138622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138622
Ave neighs/atom = 69.311000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.897629731758, Press = -0.0612387339629698
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  322000    -8081.982    -8081.982   -8162.3899   -8162.3899    311.18681    311.18681    23360.524    23360.524    449.56104    449.56104 
  323000   -8078.6109   -8078.6109   -8159.7772   -8159.7772    314.12187    314.12187    23337.901    23337.901    2720.4264    2720.4264 
Loop time of 17.5287 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.049 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.325     | 17.325     | 17.325     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040826   | 0.040826   | 0.040826   |   0.0 |  0.23
Output  | 5.9972e-05 | 5.9972e-05 | 5.9972e-05 |   0.0 |  0.00
Modify  | 0.14183    | 0.14183    | 0.14183    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138872.0 ave      138872 max      138872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138872
Ave neighs/atom = 69.436000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.897580186972, Press = -0.383132047682353
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  323000   -8078.6109   -8078.6109   -8159.7772   -8159.7772    314.12187    314.12187    23337.901    23337.901    2720.4264    2720.4264 
  324000   -8077.3916   -8077.3916   -8158.2125   -8158.2125     312.7853     312.7853    23427.111    23427.111   -3700.7509   -3700.7509 
Loop time of 17.4941 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.859 hours/ns, 57.162 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.291     | 17.291     | 17.291     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040616   | 0.040616   | 0.040616   |   0.0 |  0.23
Output  | 6.0676e-05 | 6.0676e-05 | 6.0676e-05 |   0.0 |  0.00
Modify  | 0.14178    | 0.14178    | 0.14178    |   0.0 |  0.81
Other   |            | 0.02089    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139011.0 ave      139011 max      139011 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139011
Ave neighs/atom = 69.505500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.905428919589, Press = -0.324142925346435
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  324000   -8077.3916   -8077.3916   -8158.2125   -8158.2125     312.7853     312.7853    23427.111    23427.111   -3700.7509   -3700.7509 
  325000    -8078.441    -8078.441   -8158.2335   -8158.2335     308.8052     308.8052     23371.81     23371.81    478.12635    478.12635 
Loop time of 17.4834 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.942 ns/day, 4.856 hours/ns, 57.197 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.28      | 17.28      | 17.28      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040749   | 0.040749   | 0.040749   |   0.0 |  0.23
Output  | 5.9613e-05 | 5.9613e-05 | 5.9613e-05 |   0.0 |  0.00
Modify  | 0.14178    | 0.14178    | 0.14178    |   0.0 |  0.81
Other   |            | 0.02086    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138665.0 ave      138665 max      138665 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138665
Ave neighs/atom = 69.332500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.907665882732, Press = 0.00977542619522421
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  325000    -8078.441    -8078.441   -8158.2335   -8158.2335     308.8052     308.8052     23371.81     23371.81    478.12635    478.12635 
  326000   -8077.6929   -8077.6929   -8158.3328   -8158.3328    312.08502    312.08502    23364.851    23364.851    1134.5027    1134.5027 
Loop time of 17.4901 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.858 hours/ns, 57.175 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.287     | 17.287     | 17.287     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040553   | 0.040553   | 0.040553   |   0.0 |  0.23
Output  | 5.8624e-05 | 5.8624e-05 | 5.8624e-05 |   0.0 |  0.00
Modify  | 0.14173    | 0.14173    | 0.14173    |   0.0 |  0.81
Other   |            | 0.02091    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138898.0 ave      138898 max      138898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138898
Ave neighs/atom = 69.449000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.908234526972, Press = -0.210347240558895
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  326000   -8077.6929   -8077.6929   -8158.3328   -8158.3328    312.08502    312.08502    23364.851    23364.851    1134.5027    1134.5027 
  327000   -8078.1035   -8078.1035   -8155.9756   -8155.9756    301.37282    301.37282    23377.693    23377.693   -232.86785   -232.86785 
Loop time of 17.4926 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.859 hours/ns, 57.167 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.289     | 17.289     | 17.289     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040691   | 0.040691   | 0.040691   |   0.0 |  0.23
Output  | 5.8759e-05 | 5.8759e-05 | 5.8759e-05 |   0.0 |  0.00
Modify  | 0.14175    | 0.14175    | 0.14175    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138849.0 ave      138849 max      138849 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138849
Ave neighs/atom = 69.424500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.900876079113, Press = -0.248448245856046
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  327000   -8078.1035   -8078.1035   -8155.9756   -8155.9756    301.37282    301.37282    23377.693    23377.693   -232.86785   -232.86785 
  328000   -8081.8161   -8081.8161   -8160.0554   -8160.0554    302.79406    302.79406     23387.47     23387.47   -1169.3512   -1169.3512 
Loop time of 17.5148 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.094 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040634   | 0.040634   | 0.040634   |   0.0 |  0.23
Output  | 8.4915e-05 | 8.4915e-05 | 8.4915e-05 |   0.0 |  0.00
Modify  | 0.14197    | 0.14197    | 0.14197    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138975.0 ave      138975 max      138975 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138975
Ave neighs/atom = 69.487500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.896010679844, Press = -0.175551264368765
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  328000   -8081.8161   -8081.8161   -8160.0554   -8160.0554    302.79406    302.79406     23387.47     23387.47   -1169.3512   -1169.3512 
  329000   -8076.4884   -8076.4884   -8158.7861   -8158.7861    318.50058    318.50058    23368.612    23368.612    500.29515    500.29515 
Loop time of 17.5181 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.084 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.315     | 17.315     | 17.315     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040496   | 0.040496   | 0.040496   |   0.0 |  0.23
Output  | 5.8546e-05 | 5.8546e-05 | 5.8546e-05 |   0.0 |  0.00
Modify  | 0.14182    | 0.14182    | 0.14182    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138726.0 ave      138726 max      138726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138726
Ave neighs/atom = 69.363000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.893976875008, Press = -0.0956056190499565
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  329000   -8076.4884   -8076.4884   -8158.7861   -8158.7861    318.50058    318.50058    23368.612    23368.612    500.29515    500.29515 
  330000   -8078.9741   -8078.9741   -8159.1965   -8159.1965    310.46909    310.46909    23364.374    23364.374    928.84613    928.84613 
Loop time of 17.5112 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.106 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040639   | 0.040639   | 0.040639   |   0.0 |  0.23
Output  | 6.3551e-05 | 6.3551e-05 | 6.3551e-05 |   0.0 |  0.00
Modify  | 0.14175    | 0.14175    | 0.14175    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138966.0 ave      138966 max      138966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138966
Ave neighs/atom = 69.483000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.89008955656, Press = -0.150095267390507
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  330000   -8078.9741   -8078.9741   -8159.1965   -8159.1965    310.46909    310.46909    23364.374    23364.374    928.84613    928.84613 
  331000   -8082.3936   -8082.3936   -8162.4642   -8162.4642     309.8818     309.8818    23369.813    23369.813    132.30611    132.30611 
Loop time of 17.5067 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.121 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.303     | 17.303     | 17.303     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040952   | 0.040952   | 0.040952   |   0.0 |  0.23
Output  | 5.7914e-05 | 5.7914e-05 | 5.7914e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138838.0 ave      138838 max      138838 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138838
Ave neighs/atom = 69.419000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889547988614, Press = -0.401056222414284
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  331000   -8082.3936   -8082.3936   -8162.4642   -8162.4642     309.8818     309.8818    23369.813    23369.813    132.30611    132.30611 
  332000   -8076.2515   -8076.2515    -8156.507    -8156.507    310.59739    310.59739    23414.266    23414.266   -2400.5486   -2400.5486 
Loop time of 17.4833 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.942 ns/day, 4.856 hours/ns, 57.197 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.28      | 17.28      | 17.28      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04051    | 0.04051    | 0.04051    |   0.0 |  0.23
Output  | 5.739e-05  | 5.739e-05  | 5.739e-05  |   0.0 |  0.00
Modify  | 0.14179    | 0.14179    | 0.14179    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138724.0 ave      138724 max      138724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138724
Ave neighs/atom = 69.362000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.885124861493, Press = -0.179966892364559
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  332000   -8076.2515   -8076.2515    -8156.507    -8156.507    310.59739    310.59739    23414.266    23414.266   -2400.5486   -2400.5486 
  333000   -8078.7219   -8078.7219   -8159.6927   -8159.6927    313.36526    313.36526    23353.846    23353.846    1570.5375    1570.5375 
Loop time of 17.4892 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.858 hours/ns, 57.178 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.286     | 17.286     | 17.286     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040659   | 0.040659   | 0.040659   |   0.0 |  0.23
Output  | 5.7679e-05 | 5.7679e-05 | 5.7679e-05 |   0.0 |  0.00
Modify  | 0.14179    | 0.14179    | 0.14179    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5435.00 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138750.0 ave      138750 max      138750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138750
Ave neighs/atom = 69.375000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.891884007342, Press = -0.00534472045963897
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  333000   -8078.7219   -8078.7219   -8159.6927   -8159.6927    313.36526    313.36526    23353.846    23353.846    1570.5375    1570.5375 
  334000    -8075.786    -8075.786   -8156.3595   -8156.3595    311.82774    311.82774    23352.792    23352.792    1993.0876    1993.0876 
Loop time of 17.498 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.861 hours/ns, 57.149 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.295     | 17.295     | 17.295     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040478   | 0.040478   | 0.040478   |   0.0 |  0.23
Output  | 5.7416e-05 | 5.7416e-05 | 5.7416e-05 |   0.0 |  0.00
Modify  | 0.14205    | 0.14205    | 0.14205    |   0.0 |  0.81
Other   |            | 0.02085    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138908.0 ave      138908 max      138908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138908
Ave neighs/atom = 69.454000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.897201826005, Press = -0.322550262708424
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  334000    -8075.786    -8075.786   -8156.3595   -8156.3595    311.82774    311.82774    23352.792    23352.792    1993.0876    1993.0876 
  335000   -8081.0191   -8081.0191   -8159.7628   -8159.7628    304.74624    304.74624    23408.601    23408.601   -2345.3486   -2345.3486 
Loop time of 17.5393 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.872 hours/ns, 57.015 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.336     | 17.336     | 17.336     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040541   | 0.040541   | 0.040541   |   0.0 |  0.23
Output  | 8.4643e-05 | 8.4643e-05 | 8.4643e-05 |   0.0 |  0.00
Modify  | 0.14187    | 0.14187    | 0.14187    |   0.0 |  0.81
Other   |            | 0.02089    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139044.0 ave      139044 max      139044 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139044
Ave neighs/atom = 69.522000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.898348505945, Press = -0.292957200044699
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  335000   -8081.0191   -8081.0191   -8159.7628   -8159.7628    304.74624    304.74624    23408.601    23408.601   -2345.3486   -2345.3486 
  336000   -8076.3078   -8076.3078   -8156.5781   -8156.5781    310.65421    310.65421    23389.121    23389.121   -529.29443   -529.29443 
Loop time of 17.5223 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.867 hours/ns, 57.070 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.319     | 17.319     | 17.319     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040622   | 0.040622   | 0.040622   |   0.0 |  0.23
Output  | 5.7501e-05 | 5.7501e-05 | 5.7501e-05 |   0.0 |  0.00
Modify  | 0.1418     | 0.1418     | 0.1418     |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138582.0 ave      138582 max      138582 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138582
Ave neighs/atom = 69.291000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.896522565591, Press = 0.0432643505390445
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  336000   -8076.3078   -8076.3078   -8156.5781   -8156.5781    310.65421    310.65421    23389.121    23389.121   -529.29443   -529.29443 
  337000    -8081.364    -8081.364   -8161.9603   -8161.9603    311.91592    311.91592    23345.081    23345.081    1952.5201    1952.5201 
Loop time of 17.482 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.942 ns/day, 4.856 hours/ns, 57.202 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.279     | 17.279     | 17.279     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040705   | 0.040705   | 0.040705   |   0.0 |  0.23
Output  | 5.8445e-05 | 5.8445e-05 | 5.8445e-05 |   0.0 |  0.00
Modify  | 0.1418     | 0.1418     | 0.1418     |   0.0 |  0.81
Other   |            | 0.02085    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138899.0 ave      138899 max      138899 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138899
Ave neighs/atom = 69.449500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.890247493934, Press = -0.153571590221528
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  337000    -8081.364    -8081.364   -8161.9603   -8161.9603    311.91592    311.91592    23345.081    23345.081    1952.5201    1952.5201 
  338000   -8077.8705   -8077.8705   -8159.3701   -8159.3701    315.41204    315.41204    23376.829    23376.829  -0.23717294  -0.23717294 
Loop time of 17.5142 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.096 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040617   | 0.040617   | 0.040617   |   0.0 |  0.23
Output  | 6.0487e-05 | 6.0487e-05 | 6.0487e-05 |   0.0 |  0.00
Modify  | 0.142      | 0.142      | 0.142      |   0.0 |  0.81
Other   |            | 0.02091    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138926.0 ave      138926 max      138926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138926
Ave neighs/atom = 69.463000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.885271043304, Press = -0.317094224587675
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  338000   -8077.8705   -8077.8705   -8159.3701   -8159.3701    315.41204    315.41204    23376.829    23376.829  -0.23717294  -0.23717294 
  339000    -8078.724    -8078.724   -8158.8138   -8158.8138    309.95599    309.95599    23393.514    23393.514   -682.13733   -682.13733 
Loop time of 17.5035 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.132 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041026   | 0.041026   | 0.041026   |   0.0 |  0.23
Output  | 5.9004e-05 | 5.9004e-05 | 5.9004e-05 |   0.0 |  0.00
Modify  | 0.14199    | 0.14199    | 0.14199    |   0.0 |  0.81
Other   |            | 0.02081    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138910.0 ave      138910 max      138910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138910
Ave neighs/atom = 69.455000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.893688481358, Press = -0.191160783597485
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  339000    -8078.724    -8078.724   -8158.8138   -8158.8138    309.95599    309.95599    23393.514    23393.514   -682.13733   -682.13733 
  340000     -8077.26     -8077.26   -8158.3781   -8158.3781    313.93576    313.93576    23373.694    23373.694    83.754338    83.754338 
Loop time of 17.495 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.860 hours/ns, 57.159 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.292     | 17.292     | 17.292     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040578   | 0.040578   | 0.040578   |   0.0 |  0.23
Output  | 5.8409e-05 | 5.8409e-05 | 5.8409e-05 |   0.0 |  0.00
Modify  | 0.14176    | 0.14176    | 0.14176    |   0.0 |  0.81
Other   |            | 0.02079    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138792.0 ave      138792 max      138792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138792
Ave neighs/atom = 69.396000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.89616091589, Press = -0.161881864385881
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  340000     -8077.26     -8077.26   -8158.3781   -8158.3781    313.93576    313.93576    23373.694    23373.694    83.754338    83.754338 
  341000   -8081.0703   -8081.0703   -8158.6561   -8158.6561    300.26509    300.26509    23383.537    23383.537    -284.6885    -284.6885 
Loop time of 17.5287 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.049 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.325     | 17.325     | 17.325     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040514   | 0.040514   | 0.040514   |   0.0 |  0.23
Output  | 7.187e-05  | 7.187e-05  | 7.187e-05  |   0.0 |  0.00
Modify  | 0.14172    | 0.14172    | 0.14172    |   0.0 |  0.81
Other   |            | 0.02092    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138906.0 ave      138906 max      138906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138906
Ave neighs/atom = 69.453000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.894158262033, Press = -0.191641764392205
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  341000   -8081.0703   -8081.0703   -8158.6561   -8158.6561    300.26509    300.26509    23383.537    23383.537    -284.6885    -284.6885 
  342000   -8079.4008   -8079.4008   -8159.3114   -8159.3114    309.26239    309.26239    23359.937    23359.937    827.07101    827.07101 
Loop time of 17.4908 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.859 hours/ns, 57.173 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.287     | 17.287     | 17.287     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040805   | 0.040805   | 0.040805   |   0.0 |  0.23
Output  | 5.8242e-05 | 5.8242e-05 | 5.8242e-05 |   0.0 |  0.00
Modify  | 0.14175    | 0.14175    | 0.14175    |   0.0 |  0.81
Other   |            | 0.02092    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138833.0 ave      138833 max      138833 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138833
Ave neighs/atom = 69.416500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.899282311282, Press = -0.203176823575035
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  342000   -8079.4008   -8079.4008   -8159.3114   -8159.3114    309.26239    309.26239    23359.937    23359.937    827.07101    827.07101 
  343000   -8076.8593   -8076.8593    -8157.818    -8157.818    313.31831    313.31831    23383.196    23383.196   -422.44824   -422.44824 
Loop time of 17.5244 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.063 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.321     | 17.321     | 17.321     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040833   | 0.040833   | 0.040833   |   0.0 |  0.23
Output  | 7.403e-05  | 7.403e-05  | 7.403e-05  |   0.0 |  0.00
Modify  | 0.1419     | 0.1419     | 0.1419     |   0.0 |  0.81
Other   |            | 0.02089    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138967.0 ave      138967 max      138967 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138967
Ave neighs/atom = 69.483500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.90167159179, Press = -0.289753027420861
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  343000   -8076.8593   -8076.8593    -8157.818    -8157.818    313.31831    313.31831    23383.196    23383.196   -422.44824   -422.44824 
  344000    -8081.272    -8081.272   -8160.2631   -8160.2631    305.70376    305.70376    23406.464    23406.464    -2220.378    -2220.378 
Loop time of 17.4874 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.858 hours/ns, 57.184 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.284     | 17.284     | 17.284     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040751   | 0.040751   | 0.040751   |   0.0 |  0.23
Output  | 6.4094e-05 | 6.4094e-05 | 6.4094e-05 |   0.0 |  0.00
Modify  | 0.14179    | 0.14179    | 0.14179    |   0.0 |  0.81
Other   |            | 0.02092    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138859.0 ave      138859 max      138859 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138859
Ave neighs/atom = 69.429500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.893587584505, Press = -0.201076569999298
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  344000    -8081.272    -8081.272   -8160.2631   -8160.2631    305.70376    305.70376    23406.464    23406.464    -2220.378    -2220.378 
  345000   -8078.3859   -8078.3859    -8158.444    -8158.444     309.8332     309.8332    23370.121    23370.121    324.84656    324.84656 
Loop time of 17.5252 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.061 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.322     | 17.322     | 17.322     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040583   | 0.040583   | 0.040583   |   0.0 |  0.23
Output  | 5.8788e-05 | 5.8788e-05 | 5.8788e-05 |   0.0 |  0.00
Modify  | 0.14182    | 0.14182    | 0.14182    |   0.0 |  0.81
Other   |            | 0.02082    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5429.00 ave        5429 max        5429 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138724.0 ave      138724 max      138724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138724
Ave neighs/atom = 69.362000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.892949691851, Press = -0.0380126286581456
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  345000   -8078.3859   -8078.3859    -8158.444    -8158.444     309.8332     309.8332    23370.121    23370.121    324.84656    324.84656 
  346000   -8074.5973   -8074.5973    -8157.507    -8157.507    320.86936    320.86936    23348.392    23348.392    1920.3008    1920.3008 
Loop time of 17.5006 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.141 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04069    | 0.04069    | 0.04069    |   0.0 |  0.23
Output  | 5.9604e-05 | 5.9604e-05 | 5.9604e-05 |   0.0 |  0.00
Modify  | 0.14211    | 0.14211    | 0.14211    |   0.0 |  0.81
Other   |            | 0.02091    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138870.0 ave      138870 max      138870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138870
Ave neighs/atom = 69.435000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.895101669095, Press = -0.238344649901554
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  346000   -8074.5973   -8074.5973    -8157.507    -8157.507    320.86936    320.86936    23348.392    23348.392    1920.3008    1920.3008 
  347000   -8080.2156   -8080.2156   -8161.3802   -8161.3802    314.11526    314.11526    23421.852    23421.852    -3654.795    -3654.795 
Loop time of 17.5093 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.864 hours/ns, 57.113 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.306     | 17.306     | 17.306     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040917   | 0.040917   | 0.040917   |   0.0 |  0.23
Output  | 5.9734e-05 | 5.9734e-05 | 5.9734e-05 |   0.0 |  0.00
Modify  | 0.14174    | 0.14174    | 0.14174    |   0.0 |  0.81
Other   |            | 0.02098    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139267.0 ave      139267 max      139267 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139267
Ave neighs/atom = 69.633500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.903653445592, Press = -0.548775646463142
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  347000   -8080.2156   -8080.2156   -8161.3802   -8161.3802    314.11526    314.11526    23421.852    23421.852    -3654.795    -3654.795 
  348000    -8077.088    -8077.088   -8157.7964   -8157.7964    312.34979    312.34979    23405.443    23405.443   -1693.1341   -1693.1341 
Loop time of 17.5117 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.105 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040574   | 0.040574   | 0.040574   |   0.0 |  0.23
Output  | 7.5994e-05 | 7.5994e-05 | 7.5994e-05 |   0.0 |  0.00
Modify  | 0.1419     | 0.1419     | 0.1419     |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138550.0 ave      138550 max      138550 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138550
Ave neighs/atom = 69.275000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.907845599406, Press = 0.110480952412553
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  348000    -8077.088    -8077.088   -8157.7964   -8157.7964    312.34979    312.34979    23405.443    23405.443   -1693.1341   -1693.1341 
  349000   -8079.3159   -8079.3159   -8158.9134   -8158.9134    308.05023    308.05023    23336.167    23336.167    2590.1681    2590.1681 
Loop time of 17.4947 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.860 hours/ns, 57.160 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.291     | 17.291     | 17.291     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040636   | 0.040636   | 0.040636   |   0.0 |  0.23
Output  | 5.8034e-05 | 5.8034e-05 | 5.8034e-05 |   0.0 |  0.00
Modify  | 0.14185    | 0.14185    | 0.14185    |   0.0 |  0.81
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138733.0 ave      138733 max      138733 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138733
Ave neighs/atom = 69.366500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.903928345619, Press = -0.133796070002736
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  349000   -8079.3159   -8079.3159   -8158.9134   -8158.9134    308.05023    308.05023    23336.167    23336.167    2590.1681    2590.1681 
  350000   -8079.9506   -8079.9506   -8160.5187   -8160.5187    311.80671    311.80671    23382.954    23382.954   -725.97966   -725.97966 
Loop time of 17.5222 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.867 hours/ns, 57.070 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.319     | 17.319     | 17.319     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040567   | 0.040567   | 0.040567   |   0.0 |  0.23
Output  | 6.3596e-05 | 6.3596e-05 | 6.3596e-05 |   0.0 |  0.00
Modify  | 0.1418     | 0.1418     | 0.1418     |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138988.0 ave      138988 max      138988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138988
Ave neighs/atom = 69.494000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.908467890613, Press = -0.352613871216987
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  350000   -8079.9506   -8079.9506   -8160.5187   -8160.5187    311.80671    311.80671    23382.954    23382.954   -725.97966   -725.97966 
  351000   -8078.1516   -8078.1516   -8158.0308   -8158.0308    309.14099    309.14099    23396.288    23396.288   -1476.8816   -1476.8816 
Loop time of 17.5006 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.141 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040515   | 0.040515   | 0.040515   |   0.0 |  0.23
Output  | 5.8077e-05 | 5.8077e-05 | 5.8077e-05 |   0.0 |  0.00
Modify  | 0.14201    | 0.14201    | 0.14201    |   0.0 |  0.81
Other   |            | 0.02093    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138780.0 ave      138780 max      138780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138780
Ave neighs/atom = 69.390000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.905326085695, Press = -0.0963075140109237
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  351000   -8078.1516   -8078.1516   -8158.0308   -8158.0308    309.14099    309.14099    23396.288    23396.288   -1476.8816   -1476.8816 
  352000   -8077.2375   -8077.2375   -8157.4561   -8157.4561    310.45412    310.45412    23339.803    23339.803    2471.9104    2471.9104 
Loop time of 17.5015 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.862 hours/ns, 57.138 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.298     | 17.298     | 17.298     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040449   | 0.040449   | 0.040449   |   0.0 |  0.23
Output  | 5.878e-05  | 5.878e-05  | 5.878e-05  |   0.0 |  0.00
Modify  | 0.14228    | 0.14228    | 0.14228    |   0.0 |  0.81
Other   |            | 0.02081    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5422.00 ave        5422 max        5422 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138940.0 ave      138940 max      138940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138940
Ave neighs/atom = 69.470000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.897038952665, Press = -0.0198962659971062
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  352000   -8077.2375   -8077.2375   -8157.4561   -8157.4561    310.45412    310.45412    23339.803    23339.803    2471.9104    2471.9104 
  353000   -8080.9613   -8080.9613   -8162.9286   -8162.9286    317.22169    317.22169    23364.565    23364.565    296.91294    296.91294 
Loop time of 17.5158 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.866 hours/ns, 57.091 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.313     | 17.313     | 17.313     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040595   | 0.040595   | 0.040595   |   0.0 |  0.23
Output  | 5.917e-05  | 5.917e-05  | 5.917e-05  |   0.0 |  0.00
Modify  | 0.14175    | 0.14175    | 0.14175    |   0.0 |  0.81
Other   |            | 0.02086    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139081.0 ave      139081 max      139081 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139081
Ave neighs/atom = 69.540500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.893821089352, Press = -0.558632858361525
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  353000   -8080.9613   -8080.9613   -8162.9286   -8162.9286    317.22169    317.22169    23364.565    23364.565    296.91294    296.91294 
  354000   -8076.7753   -8076.7753   -8159.8342   -8159.8342    321.44671    321.44671    23397.579    23397.579   -1604.5708   -1604.5708 
Loop time of 17.5171 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.087 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.314     | 17.314     | 17.314     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040703   | 0.040703   | 0.040703   |   0.0 |  0.23
Output  | 5.9926e-05 | 5.9926e-05 | 5.9926e-05 |   0.0 |  0.00
Modify  | 0.14176    | 0.14176    | 0.14176    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138839.0 ave      138839 max      138839 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138839
Ave neighs/atom = 69.419500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.89334016928, Press = -0.0877883233031587
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  354000   -8076.7753   -8076.7753   -8159.8342   -8159.8342    321.44671    321.44671    23397.579    23397.579   -1604.5708   -1604.5708 
  355000   -8080.0454   -8080.0454   -8160.4825   -8160.4825    311.30002    311.30002    23364.479    23364.479    603.86132    603.86132 
Loop time of 17.5156 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.092 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.312     | 17.312     | 17.312     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040739   | 0.040739   | 0.040739   |   0.0 |  0.23
Output  | 7.7857e-05 | 7.7857e-05 | 7.7857e-05 |   0.0 |  0.00
Modify  | 0.14189    | 0.14189    | 0.14189    |   0.0 |  0.81
Other   |            | 0.02085    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5439.00 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138679.0 ave      138679 max      138679 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138679
Ave neighs/atom = 69.339500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.89368156877, Press = -0.168402809178821
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  355000   -8080.0454   -8080.0454   -8160.4825   -8160.4825    311.30002    311.30002    23364.479    23364.479    603.86132    603.86132 
  356000   -8076.5478   -8076.5478   -8158.8679   -8158.8679    318.58744    318.58744     23384.25     23384.25   -484.87654   -484.87654 
Loop time of 17.5205 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.867 hours/ns, 57.076 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.317     | 17.317     | 17.317     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040439   | 0.040439   | 0.040439   |   0.0 |  0.23
Output  | 5.8095e-05 | 5.8095e-05 | 5.8095e-05 |   0.0 |  0.00
Modify  | 0.14191    | 0.14191    | 0.14191    |   0.0 |  0.81
Other   |            | 0.02095    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138963.0 ave      138963 max      138963 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138963
Ave neighs/atom = 69.481500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.901852204126, Press = -0.257121692988681
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  356000   -8076.5478   -8076.5478   -8158.8679   -8158.8679    318.58744    318.58744     23384.25     23384.25   -484.87654   -484.87654 
  357000   -8078.3442   -8078.3442   -8157.6501   -8157.6501    306.92181    306.92181    23390.812    23390.812   -775.72409   -775.72409 
Loop time of 17.4949 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.860 hours/ns, 57.160 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.292     | 17.292     | 17.292     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040499   | 0.040499   | 0.040499   |   0.0 |  0.23
Output  | 5.9347e-05 | 5.9347e-05 | 5.9347e-05 |   0.0 |  0.00
Modify  | 0.1418     | 0.1418     | 0.1418     |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138782.0 ave      138782 max      138782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138782
Ave neighs/atom = 69.391000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.902819953566, Press = -0.0476017296098596
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  357000   -8078.3442   -8078.3442   -8157.6501   -8157.6501    306.92181    306.92181    23390.812    23390.812   -775.72409   -775.72409 
  358000   -8074.8908   -8074.8908   -8158.7148   -8158.7148    324.40758    324.40758    23342.497    23342.497    2457.3775    2457.3775 
Loop time of 17.4754 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.944 ns/day, 4.854 hours/ns, 57.223 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.272     | 17.272     | 17.272     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040997   | 0.040997   | 0.040997   |   0.0 |  0.23
Output  | 5.8471e-05 | 5.8471e-05 | 5.8471e-05 |   0.0 |  0.00
Modify  | 0.14183    | 0.14183    | 0.14183    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5439.00 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138771.0 ave      138771 max      138771 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138771
Ave neighs/atom = 69.385500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.909909775338, Press = -0.109893519424382
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  358000   -8074.8908   -8074.8908   -8158.7148   -8158.7148    324.40758    324.40758    23342.497    23342.497    2457.3775    2457.3775 
  359000   -8079.6935   -8079.6935   -8159.1531   -8159.1531    307.51699    307.51699    23377.142    23377.142    22.615131    22.615131 
Loop time of 17.5393 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.926 ns/day, 4.872 hours/ns, 57.015 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.336     | 17.336     | 17.336     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040813   | 0.040813   | 0.040813   |   0.0 |  0.23
Output  | 5.7519e-05 | 5.7519e-05 | 5.7519e-05 |   0.0 |  0.00
Modify  | 0.14168    | 0.14168    | 0.14168    |   0.0 |  0.81
Other   |            | 0.02089    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139033.0 ave      139033 max      139033 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139033
Ave neighs/atom = 69.516500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.915806591586, Press = -0.367362434635943
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  359000   -8079.6935   -8079.6935   -8159.1531   -8159.1531    307.51699    307.51699    23377.142    23377.142    22.615131    22.615131 
  360000   -8080.2914   -8080.2914   -8159.2498   -8159.2498    305.57734    305.57734    23399.299    23399.299   -1708.9159   -1708.9159 
Loop time of 17.5177 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.085 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.315     | 17.315     | 17.315     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040542   | 0.040542   | 0.040542   |   0.0 |  0.23
Output  | 5.8331e-05 | 5.8331e-05 | 5.8331e-05 |   0.0 |  0.00
Modify  | 0.14166    | 0.14166    | 0.14166    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138708.0 ave      138708 max      138708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138708
Ave neighs/atom = 69.354000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.917289701016, Press = -0.162196710709842
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  360000   -8080.2914   -8080.2914   -8159.2498   -8159.2498    305.57734    305.57734    23399.299    23399.299   -1708.9159   -1708.9159 
  361000   -8078.0967   -8078.0967   -8157.4724   -8157.4724     307.1923     307.1923    23329.796    23329.796    3186.5793    3186.5793 
Loop time of 17.5174 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.086 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.314     | 17.314     | 17.314     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040581   | 0.040581   | 0.040581   |   0.0 |  0.23
Output  | 5.9098e-05 | 5.9098e-05 | 5.9098e-05 |   0.0 |  0.00
Modify  | 0.14171    | 0.14171    | 0.14171    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138712.0 ave      138712 max      138712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138712
Ave neighs/atom = 69.356000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.917952986249, Press = 0.0952039463652593
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  361000   -8078.0967   -8078.0967   -8157.4724   -8157.4724     307.1923     307.1923    23329.796    23329.796    3186.5793    3186.5793 
  362000   -8080.0237   -8080.0237   -8162.0082   -8162.0082     317.2884     317.2884    23352.992    23352.992    1184.4288    1184.4288 
Loop time of 17.5261 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.058 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.323     | 17.323     | 17.323     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040628   | 0.040628   | 0.040628   |   0.0 |  0.23
Output  | 8.3848e-05 | 8.3848e-05 | 8.3848e-05 |   0.0 |  0.00
Modify  | 0.14173    | 0.14173    | 0.14173    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139190.0 ave      139190 max      139190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139190
Ave neighs/atom = 69.595000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.90943363432, Press = -0.52164032261823
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  362000   -8080.0237   -8080.0237   -8162.0082   -8162.0082     317.2884     317.2884    23352.992    23352.992    1184.4288    1184.4288 
  363000   -8078.8025   -8078.8025    -8158.643    -8158.643     308.9912     308.9912    23414.991    23414.991   -2548.7367   -2548.7367 
Loop time of 17.5177 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.085 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.314     | 17.314     | 17.314     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040696   | 0.040696   | 0.040696   |   0.0 |  0.23
Output  | 6.0321e-05 | 6.0321e-05 | 6.0321e-05 |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138945.0 ave      138945 max      138945 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138945
Ave neighs/atom = 69.472500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.910006804655, Press = -0.232713667263813
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  363000   -8078.8025   -8078.8025    -8158.643    -8158.643     308.9912     308.9912    23414.991    23414.991   -2548.7367   -2548.7367 
  364000   -8078.0781   -8078.0781   -8157.9517   -8157.9517    309.11898    309.11898    23370.465    23370.465    282.15692    282.15692 
Loop time of 17.5007 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.141 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040613   | 0.040613   | 0.040613   |   0.0 |  0.23
Output  | 5.9031e-05 | 5.9031e-05 | 5.9031e-05 |   0.0 |  0.00
Modify  | 0.14182    | 0.14182    | 0.14182    |   0.0 |  0.81
Other   |            | 0.02086    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5435.00 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138560.0 ave      138560 max      138560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138560
Ave neighs/atom = 69.280000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.908822147315, Press = -0.00993247872888909
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  364000   -8078.0781   -8078.0781   -8157.9517   -8157.9517    309.11898    309.11898    23370.465    23370.465    282.15692    282.15692 
  365000   -8080.4495   -8080.4495   -8159.3269   -8159.3269    305.26368    305.26368    23368.281    23368.281     112.3368     112.3368 
Loop time of 17.5336 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.870 hours/ns, 57.033 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.33      | 17.33      | 17.33      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040802   | 0.040802   | 0.040802   |   0.0 |  0.23
Output  | 5.8531e-05 | 5.8531e-05 | 5.8531e-05 |   0.0 |  0.00
Modify  | 0.14179    | 0.14179    | 0.14179    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138927.0 ave      138927 max      138927 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138927
Ave neighs/atom = 69.463500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.910570672134, Press = -0.211794773801453
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  365000   -8080.4495   -8080.4495   -8159.3269   -8159.3269    305.26368    305.26368    23368.281    23368.281     112.3368     112.3368 
  366000   -8075.5831   -8075.5831   -8158.4639   -8158.4639    320.75726    320.75726    23406.535    23406.535   -1796.4152   -1796.4152 
Loop time of 17.4953 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.158 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.292     | 17.292     | 17.292     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040634   | 0.040634   | 0.040634   |   0.0 |  0.23
Output  | 5.8925e-05 | 5.8925e-05 | 5.8925e-05 |   0.0 |  0.00
Modify  | 0.14174    | 0.14174    | 0.14174    |   0.0 |  0.81
Other   |            | 0.02089    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138903.0 ave      138903 max      138903 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138903
Ave neighs/atom = 69.451500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.912284412329, Press = -0.0922594414321155
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  366000   -8075.5831   -8075.5831   -8158.4639   -8158.4639    320.75726    320.75726    23406.535    23406.535   -1796.4152   -1796.4152 
  367000   -8078.7217   -8078.7217   -8161.7262   -8161.7262      321.236      321.236    23340.895    23340.895    2267.6512    2267.6512 
Loop time of 17.5007 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.140 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040688   | 0.040688   | 0.040688   |   0.0 |  0.23
Output  | 5.9149e-05 | 5.9149e-05 | 5.9149e-05 |   0.0 |  0.00
Modify  | 0.14171    | 0.14171    | 0.14171    |   0.0 |  0.81
Other   |            | 0.02085    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138621.0 ave      138621 max      138621 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138621
Ave neighs/atom = 69.310500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.909568601156, Press = 0.186222755708615
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  367000   -8078.7217   -8078.7217   -8161.7262   -8161.7262      321.236      321.236    23340.895    23340.895    2267.6512    2267.6512 
  368000   -8079.5304   -8079.5304   -8158.8841   -8158.8841    307.10726    307.10726    23348.394    23348.394    1808.3897    1808.3897 
Loop time of 17.5184 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.083 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.315     | 17.315     | 17.315     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040532   | 0.040532   | 0.040532   |   0.0 |  0.23
Output  | 5.8841e-05 | 5.8841e-05 | 5.8841e-05 |   0.0 |  0.00
Modify  | 0.14167    | 0.14167    | 0.14167    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138898.0 ave      138898 max      138898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138898
Ave neighs/atom = 69.449000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.905700978463, Press = -0.28239084229632
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  368000   -8079.5304   -8079.5304   -8158.8841   -8158.8841    307.10726    307.10726    23348.394    23348.394    1808.3897    1808.3897 
  369000    -8076.848    -8076.848   -8159.8806   -8159.8806    321.34472    321.34472    23398.745    23398.745   -1635.1208   -1635.1208 
Loop time of 17.5464 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.992 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.343     | 17.343     | 17.343     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04051    | 0.04051    | 0.04051    |   0.0 |  0.23
Output  | 9.0119e-05 | 9.0119e-05 | 9.0119e-05 |   0.0 |  0.00
Modify  | 0.14171    | 0.14171    | 0.14171    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5435.00 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139017.0 ave      139017 max      139017 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139017
Ave neighs/atom = 69.508500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.898331888535, Press = -0.176620166728621
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  369000    -8076.848    -8076.848   -8159.8806   -8159.8806    321.34472    321.34472    23398.745    23398.745   -1635.1208   -1635.1208 
  370000   -8080.5025   -8080.5025   -8160.1419   -8160.1419    308.21268    308.21268    23361.823    23361.823    705.68487    705.68487 
Loop time of 17.5107 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.108 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.307     | 17.307     | 17.307     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040594   | 0.040594   | 0.040594   |   0.0 |  0.23
Output  | 5.9363e-05 | 5.9363e-05 | 5.9363e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138694.0 ave      138694 max      138694 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138694
Ave neighs/atom = 69.347000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.895913065724, Press = -0.056464915278615
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  370000   -8080.5025   -8080.5025   -8160.1419   -8160.1419    308.21268    308.21268    23361.823    23361.823    705.68487    705.68487 
  371000   -8078.1444   -8078.1444   -8161.1359   -8161.1359    321.18558    321.18558    23357.276    23357.276    1245.0979    1245.0979 
Loop time of 17.5198 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.867 hours/ns, 57.078 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.316     | 17.316     | 17.316     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04067    | 0.04067    | 0.04067    |   0.0 |  0.23
Output  | 5.85e-05   | 5.85e-05   | 5.85e-05   |   0.0 |  0.00
Modify  | 0.14178    | 0.14178    | 0.14178    |   0.0 |  0.81
Other   |            | 0.02094    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138917.0 ave      138917 max      138917 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138917
Ave neighs/atom = 69.458500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.887783685661, Press = -0.16005581477021
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  371000   -8078.1444   -8078.1444   -8161.1359   -8161.1359    321.18558    321.18558    23357.276    23357.276    1245.0979    1245.0979 
  372000   -8079.7287   -8079.7287   -8159.2019   -8159.2019    307.56967    307.56967    23378.666    23378.666   -260.19447   -260.19447 
Loop time of 17.5339 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.928 ns/day, 4.871 hours/ns, 57.032 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.33      | 17.33      | 17.33      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040599   | 0.040599   | 0.040599   |   0.0 |  0.23
Output  | 7.579e-05  | 7.579e-05  | 7.579e-05  |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02089    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138829.0 ave      138829 max      138829 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138829
Ave neighs/atom = 69.414500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88714920817, Press = -0.213476051876345
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  372000   -8079.7287   -8079.7287   -8159.2019   -8159.2019    307.56967    307.56967    23378.666    23378.666   -260.19447   -260.19447 
  373000   -8079.0629   -8079.0629   -8159.6616   -8159.6616    311.92517    311.92517    23372.297    23372.297    132.69877    132.69877 
Loop time of 17.5042 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.129 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.301     | 17.301     | 17.301     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040694   | 0.040694   | 0.040694   |   0.0 |  0.23
Output  | 5.8604e-05 | 5.8604e-05 | 5.8604e-05 |   0.0 |  0.00
Modify  | 0.14156    | 0.14156    | 0.14156    |   0.0 |  0.81
Other   |            | 0.02082    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138820.0 ave      138820 max      138820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138820
Ave neighs/atom = 69.410000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.885181307462, Press = -0.0618136255791599
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  373000   -8079.0629   -8079.0629   -8159.6616   -8159.6616    311.92517    311.92517    23372.297    23372.297    132.69877    132.69877 
  374000   -8076.5412   -8076.5412   -8160.2093   -8160.2093    323.80424    323.80424    23360.514    23360.514    1239.5358    1239.5358 
Loop time of 17.488 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.858 hours/ns, 57.182 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.285     | 17.285     | 17.285     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040648   | 0.040648   | 0.040648   |   0.0 |  0.23
Output  | 6.0074e-05 | 6.0074e-05 | 6.0074e-05 |   0.0 |  0.00
Modify  | 0.1418     | 0.1418     | 0.1418     |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138794.0 ave      138794 max      138794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138794
Ave neighs/atom = 69.397000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889101699559, Press = -0.122639057546536
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  374000   -8076.5412   -8076.5412   -8160.2093   -8160.2093    323.80424    323.80424    23360.514    23360.514    1239.5358    1239.5358 
  375000   -8080.0814   -8080.0814   -8159.1401   -8159.1401    305.96523    305.96523    23364.546    23364.546    676.59158    676.59158 
Loop time of 17.5181 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.084 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.315     | 17.315     | 17.315     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040656   | 0.040656   | 0.040656   |   0.0 |  0.23
Output  | 5.7903e-05 | 5.7903e-05 | 5.7903e-05 |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138901.0 ave      138901 max      138901 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138901
Ave neighs/atom = 69.450500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.884104970681, Press = -0.29639263375243
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  375000   -8080.0814   -8080.0814   -8159.1401   -8159.1401    305.96523    305.96523    23364.546    23364.546    676.59158    676.59158 
  376000   -8080.0717   -8080.0717   -8159.2228   -8159.2228    306.32287    306.32287    23406.098    23406.098   -2172.6982   -2172.6982 
Loop time of 17.5058 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.863 hours/ns, 57.124 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.303     | 17.303     | 17.303     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04048    | 0.04048    | 0.04048    |   0.0 |  0.23
Output  | 8.292e-05  | 8.292e-05  | 8.292e-05  |   0.0 |  0.00
Modify  | 0.14179    | 0.14179    | 0.14179    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138874.0 ave      138874 max      138874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138874
Ave neighs/atom = 69.437000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.885747693702, Press = -0.190871287191017
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  376000   -8080.0717   -8080.0717   -8159.2228   -8159.2228    306.32287    306.32287    23406.098    23406.098   -2172.6982   -2172.6982 
  377000   -8078.4319   -8078.4319   -8157.4293   -8157.4293    305.72805    305.72805    23361.504    23361.504    1101.8718    1101.8718 
Loop time of 17.5044 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.129 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.301     | 17.301     | 17.301     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040561   | 0.040561   | 0.040561   |   0.0 |  0.23
Output  | 5.9632e-05 | 5.9632e-05 | 5.9632e-05 |   0.0 |  0.00
Modify  | 0.14187    | 0.14187    | 0.14187    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138683.0 ave      138683 max      138683 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138683
Ave neighs/atom = 69.341500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88645151905, Press = 0.061889680757879
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  377000   -8078.4319   -8078.4319   -8157.4293   -8157.4293    305.72805    305.72805    23361.504    23361.504    1101.8718    1101.8718 
  378000   -8076.9098   -8076.9098    -8158.027    -8158.027    313.93187    313.93187      23341.3      23341.3     2334.875     2334.875 
Loop time of 17.5147 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.095 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040797   | 0.040797   | 0.040797   |   0.0 |  0.23
Output  | 6.3537e-05 | 6.3537e-05 | 6.3537e-05 |   0.0 |  0.00
Modify  | 0.1419     | 0.1419     | 0.1419     |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138955.0 ave      138955 max      138955 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138955
Ave neighs/atom = 69.477500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.887180245069, Press = -0.258781846626334
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  378000   -8076.9098   -8076.9098    -8158.027    -8158.027    313.93187    313.93187      23341.3      23341.3     2334.875     2334.875 
  379000   -8080.8126   -8080.8126   -8160.5569   -8160.5569    308.61871    308.61871     23407.96     23407.96   -2482.9965   -2482.9965 
Loop time of 17.5052 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.863 hours/ns, 57.126 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.302     | 17.302     | 17.302     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040499   | 0.040499   | 0.040499   |   0.0 |  0.23
Output  | 5.8712e-05 | 5.8712e-05 | 5.8712e-05 |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138993.0 ave      138993 max      138993 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138993
Ave neighs/atom = 69.496500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.882015969235, Press = -0.262615158631279
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  379000   -8080.8126   -8080.8126   -8160.5569   -8160.5569    308.61871    308.61871     23407.96     23407.96   -2482.9965   -2482.9965 
  380000    -8077.463    -8077.463   -8157.9005   -8157.9005    311.30156    311.30156    23395.665    23395.665   -1170.6462   -1170.6462 
Loop time of 17.5004 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.142 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040749   | 0.040749   | 0.040749   |   0.0 |  0.23
Output  | 5.8671e-05 | 5.8671e-05 | 5.8671e-05 |   0.0 |  0.00
Modify  | 0.14173    | 0.14173    | 0.14173    |   0.0 |  0.81
Other   |            | 0.02086    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138522.0 ave      138522 max      138522 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138522
Ave neighs/atom = 69.261000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.879000124689, Press = -0.000712742911040234
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  380000    -8077.463    -8077.463   -8157.9005   -8157.9005    311.30156    311.30156    23395.665    23395.665   -1170.6462   -1170.6462 
  381000   -8077.5011   -8077.5011   -8158.6313   -8158.6313      313.982      313.982    23350.808    23350.808    2014.9793    2014.9793 
Loop time of 17.5 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.143 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040677   | 0.040677   | 0.040677   |   0.0 |  0.23
Output  | 5.882e-05  | 5.882e-05  | 5.882e-05  |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5426.00 ave        5426 max        5426 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138770.0 ave      138770 max      138770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138770
Ave neighs/atom = 69.385000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.871698921269, Press = -0.0910693163061076
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  381000   -8077.5011   -8077.5011   -8158.6313   -8158.6313      313.982      313.982    23350.808    23350.808    2014.9793    2014.9793 
  382000    -8080.727    -8080.727   -8161.2256   -8161.2256    311.53782    311.53782     23366.17     23366.17    448.12792    448.12792 
Loop time of 17.5163 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.866 hours/ns, 57.090 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.313     | 17.313     | 17.313     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040621   | 0.040621   | 0.040621   |   0.0 |  0.23
Output  | 7.3534e-05 | 7.3534e-05 | 7.3534e-05 |   0.0 |  0.00
Modify  | 0.14186    | 0.14186    | 0.14186    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138946.0 ave      138946 max      138946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138946
Ave neighs/atom = 69.473000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.870251365574, Press = -0.279528469718218
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  382000    -8080.727    -8080.727   -8161.2256   -8161.2256    311.53782    311.53782     23366.17     23366.17    448.12792    448.12792 
  383000   -8076.1374   -8076.1374   -8158.3935   -8158.3935    318.33982    318.33982    23388.806    23388.806   -498.42684   -498.42684 
Loop time of 17.5184 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.083 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.315     | 17.315     | 17.315     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040456   | 0.040456   | 0.040456   |   0.0 |  0.23
Output  | 6.3363e-05 | 6.3363e-05 | 6.3363e-05 |   0.0 |  0.00
Modify  | 0.14188    | 0.14188    | 0.14188    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138810.0 ave      138810 max      138810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138810
Ave neighs/atom = 69.405000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.874950883628, Press = -0.171524246095321
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  383000   -8076.1374   -8076.1374   -8158.3935   -8158.3935    318.33982    318.33982    23388.806    23388.806   -498.42684   -498.42684 
  384000   -8078.3986   -8078.3986   -8158.7064   -8158.7064    310.79948    310.79948    23372.717    23372.717     503.6757     503.6757 
Loop time of 17.5075 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.118 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.304     | 17.304     | 17.304     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040674   | 0.040674   | 0.040674   |   0.0 |  0.23
Output  | 5.9823e-05 | 5.9823e-05 | 5.9823e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138698.0 ave      138698 max      138698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138698
Ave neighs/atom = 69.349000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.87880801882, Press = -0.0288463692234763
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  384000   -8078.3986   -8078.3986   -8158.7064   -8158.7064    310.79948    310.79948    23372.717    23372.717     503.6757     503.6757 
  385000    -8075.041    -8075.041   -8158.7921   -8158.7921    324.12545    324.12545    23358.413    23358.413    1420.8778    1420.8778 
Loop time of 17.5137 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.098 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.31      | 17.31      | 17.31      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040664   | 0.040664   | 0.040664   |   0.0 |  0.23
Output  | 5.9637e-05 | 5.9637e-05 | 5.9637e-05 |   0.0 |  0.00
Modify  | 0.14183    | 0.14183    | 0.14183    |   0.0 |  0.81
Other   |            | 0.02081    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5428.00 ave        5428 max        5428 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138805.0 ave      138805 max      138805 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138805
Ave neighs/atom = 69.402500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.883933333468, Press = -0.149394553271554
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  385000    -8075.041    -8075.041   -8158.7921   -8158.7921    324.12545    324.12545    23358.413    23358.413    1420.8778    1420.8778 
  386000   -8079.4994   -8079.4994   -8159.1392   -8159.1392     308.2141     308.2141    23396.739    23396.739   -1766.7131   -1766.7131 
Loop time of 17.5278 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.052 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.324     | 17.324     | 17.324     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040809   | 0.040809   | 0.040809   |   0.0 |  0.23
Output  | 5.8114e-05 | 5.8114e-05 | 5.8114e-05 |   0.0 |  0.00
Modify  | 0.14181    | 0.14181    | 0.14181    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5430.00 ave        5430 max        5430 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138967.0 ave      138967 max      138967 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138967
Ave neighs/atom = 69.483500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.883823592973, Press = -0.437225074475169
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  386000   -8079.4994   -8079.4994   -8159.1392   -8159.1392     308.2141     308.2141    23396.739    23396.739   -1766.7131   -1766.7131 
  387000   -8075.6158   -8075.6158   -8155.8877   -8155.8877    310.66057    310.66057    23409.823    23409.823   -1729.7647   -1729.7647 
Loop time of 17.5142 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.097 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.311     | 17.311     | 17.311     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040482   | 0.040482   | 0.040482   |   0.0 |  0.23
Output  | 5.9811e-05 | 5.9811e-05 | 5.9811e-05 |   0.0 |  0.00
Modify  | 0.14176    | 0.14176    | 0.14176    |   0.0 |  0.81
Other   |            | 0.02086    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5414.00 ave        5414 max        5414 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138764.0 ave      138764 max      138764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138764
Ave neighs/atom = 69.382000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.890296761178, Press = 0.0489940339407037
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  387000   -8075.6158   -8075.6158   -8155.8877   -8155.8877    310.66057    310.66057    23409.823    23409.823   -1729.7647   -1729.7647 
  388000   -8078.5132   -8078.5132    -8160.264    -8160.264    316.38408    316.38408    23350.753    23350.753    1696.1239    1696.1239 
Loop time of 17.5162 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.866 hours/ns, 57.090 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.313     | 17.313     | 17.313     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040805   | 0.040805   | 0.040805   |   0.0 |  0.23
Output  | 5.8458e-05 | 5.8458e-05 | 5.8458e-05 |   0.0 |  0.00
Modify  | 0.14167    | 0.14167    | 0.14167    |   0.0 |  0.81
Other   |            | 0.02081    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138782.0 ave      138782 max      138782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138782
Ave neighs/atom = 69.391000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.895577906048, Press = -0.0758941892736713
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  388000   -8078.5132   -8078.5132    -8160.264    -8160.264    316.38408    316.38408    23350.753    23350.753    1696.1239    1696.1239 
  389000   -8076.3287   -8076.3287   -8157.3946   -8157.3946    313.73338    313.73338    23361.999    23361.999    1342.2871    1342.2871 
Loop time of 17.5184 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.083 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.315     | 17.315     | 17.315     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040671   | 0.040671   | 0.040671   |   0.0 |  0.23
Output  | 7.9466e-05 | 7.9466e-05 | 7.9466e-05 |   0.0 |  0.00
Modify  | 0.14179    | 0.14179    | 0.14179    |   0.0 |  0.81
Other   |            | 0.02093    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138923.0 ave      138923 max      138923 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138923
Ave neighs/atom = 69.461500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.900030089663, Press = -0.235162919026316
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  389000   -8076.3287   -8076.3287   -8157.3946   -8157.3946    313.73338    313.73338    23361.999    23361.999    1342.2871    1342.2871 
  390000   -8080.3419   -8080.3419   -8158.4006   -8158.4006    302.09543    302.09543    23388.872    23388.872   -1112.2275   -1112.2275 
Loop time of 17.5484 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.875 hours/ns, 56.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.345     | 17.345     | 17.345     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04088    | 0.04088    | 0.04088    |   0.0 |  0.23
Output  | 5.8087e-05 | 5.8087e-05 | 5.8087e-05 |   0.0 |  0.00
Modify  | 0.14169    | 0.14169    | 0.14169    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138970.0 ave      138970 max      138970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138970
Ave neighs/atom = 69.485000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.899594555184, Press = -0.129117806438676
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  390000   -8080.3419   -8080.3419   -8158.4006   -8158.4006    302.09543    302.09543    23388.872    23388.872   -1112.2275   -1112.2275 
  391000   -8075.5168   -8075.5168   -8156.7454   -8156.7454    314.36291    314.36291     23386.46     23386.46   -392.27424   -392.27424 
Loop time of 17.5007 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.140 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040705   | 0.040705   | 0.040705   |   0.0 |  0.23
Output  | 6.4754e-05 | 6.4754e-05 | 6.4754e-05 |   0.0 |  0.00
Modify  | 0.14203    | 0.14203    | 0.14203    |   0.0 |  0.81
Other   |            | 0.02094    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138746.0 ave      138746 max      138746 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138746
Ave neighs/atom = 69.373000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.902156549093, Press = -0.0417571735161043
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  391000   -8075.5168   -8075.5168   -8156.7454   -8156.7454    314.36291    314.36291     23386.46     23386.46   -392.27424   -392.27424 
  392000   -8082.6281   -8082.6281   -8162.2348   -8162.2348     308.0862     308.0862     23346.29     23346.29    1477.4882    1477.4882 
Loop time of 17.5031 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.133 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040835   | 0.040835   | 0.040835   |   0.0 |  0.23
Output  | 6.0689e-05 | 6.0689e-05 | 6.0689e-05 |   0.0 |  0.00
Modify  | 0.14159    | 0.14159    | 0.14159    |   0.0 |  0.81
Other   |            | 0.02094    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138813.0 ave      138813 max      138813 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138813
Ave neighs/atom = 69.406500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.899374720537, Press = -0.233367384960979
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  392000   -8082.6281   -8082.6281   -8162.2348   -8162.2348     308.0862     308.0862     23346.29     23346.29    1477.4882    1477.4882 
  393000   -8077.4062   -8077.4062   -8156.7458   -8156.7458    307.05257    307.05257    23410.555    23410.555   -2053.0771   -2053.0771 
Loop time of 17.511 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.107 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040504   | 0.040504   | 0.040504   |   0.0 |  0.23
Output  | 5.6581e-05 | 5.6581e-05 | 5.6581e-05 |   0.0 |  0.00
Modify  | 0.14165    | 0.14165    | 0.14165    |   0.0 |  0.81
Other   |            | 0.0208     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138841.0 ave      138841 max      138841 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138841
Ave neighs/atom = 69.420500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.89741232991, Press = -0.213418477010228
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  393000   -8077.4062   -8077.4062   -8156.7458   -8156.7458    307.05257    307.05257    23410.555    23410.555   -2053.0771   -2053.0771 
  394000   -8074.1783   -8074.1783   -8157.5027   -8157.5027    322.47414    322.47414    23378.546    23378.546    11.416087    11.416087 
Loop time of 17.4953 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.158 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.292     | 17.292     | 17.292     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040606   | 0.040606   | 0.040606   |   0.0 |  0.23
Output  | 5.8866e-05 | 5.8866e-05 | 5.8866e-05 |   0.0 |  0.00
Modify  | 0.14181    | 0.14181    | 0.14181    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138684.0 ave      138684 max      138684 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138684
Ave neighs/atom = 69.342000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.89837035187, Press = 0.0418674147696611
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  394000   -8074.1783   -8074.1783   -8157.5027   -8157.5027    322.47414    322.47414    23378.546    23378.546    11.416087    11.416087 
  395000   -8079.3737   -8079.3737   -8159.1455   -8159.1455    308.72507    308.72507     23343.69     23343.69    2051.2164    2051.2164 
Loop time of 17.5101 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.110 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.307     | 17.307     | 17.307     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04067    | 0.04067    | 0.04067    |   0.0 |  0.23
Output  | 5.7956e-05 | 5.7956e-05 | 5.7956e-05 |   0.0 |  0.00
Modify  | 0.1418     | 0.1418     | 0.1418     |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138832.0 ave      138832 max      138832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138832
Ave neighs/atom = 69.416000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.903899068157, Press = -0.221016483804622
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  395000   -8079.3737   -8079.3737   -8159.1455   -8159.1455    308.72507    308.72507     23343.69     23343.69    2051.2164    2051.2164 
  396000   -8076.7674   -8076.7674   -8158.2596   -8158.2596    315.38318    315.38318    23395.394    23395.394   -1287.3857   -1287.3857 
Loop time of 17.5118 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.104 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040737   | 0.040737   | 0.040737   |   0.0 |  0.23
Output  | 8.2266e-05 | 8.2266e-05 | 8.2266e-05 |   0.0 |  0.00
Modify  | 0.14175    | 0.14175    | 0.14175    |   0.0 |  0.81
Other   |            | 0.02105    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138959.0 ave      138959 max      138959 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138959
Ave neighs/atom = 69.479500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.908279749296, Press = -0.202497597824788
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  396000   -8076.7674   -8076.7674   -8158.2596   -8158.2596    315.38318    315.38318    23395.394    23395.394   -1287.3857   -1287.3857 
  397000   -8078.0253   -8078.0253   -8157.8833   -8157.8833    309.05873    309.05873    23376.069    23376.069    40.237409    40.237409 
Loop time of 17.51 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.110 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.307     | 17.307     | 17.307     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040594   | 0.040594   | 0.040594   |   0.0 |  0.23
Output  | 5.8069e-05 | 5.8069e-05 | 5.8069e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.02086    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138709.0 ave      138709 max      138709 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138709
Ave neighs/atom = 69.354500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.910832407153, Press = -0.120349112768827
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  397000   -8078.0253   -8078.0253   -8157.8833   -8157.8833    309.05873    309.05873    23376.069    23376.069    40.237409    40.237409 
  398000   -8073.4004   -8073.4004   -8154.7671   -8154.7671    314.89773    314.89773    23372.164    23372.164    1073.3022    1073.3022 
Loop time of 17.5169 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.932 ns/day, 4.866 hours/ns, 57.088 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.313     | 17.313     | 17.313     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040727   | 0.040727   | 0.040727   |   0.0 |  0.23
Output  | 5.7985e-05 | 5.7985e-05 | 5.7985e-05 |   0.0 |  0.00
Modify  | 0.14174    | 0.14174    | 0.14174    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138846.0 ave      138846 max      138846 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138846
Ave neighs/atom = 69.423000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.910591112661, Press = -0.152184311590625
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  398000   -8073.4004   -8073.4004   -8154.7671   -8154.7671    314.89773    314.89773    23372.164    23372.164    1073.3022    1073.3022 
  399000   -8078.1695   -8078.1695   -8159.5693   -8159.5693    315.02576    315.02576      23368.2      23368.2    357.73514    357.73514 
Loop time of 17.5103 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.109 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.307     | 17.307     | 17.307     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040722   | 0.040722   | 0.040722   |   0.0 |  0.23
Output  | 5.9358e-05 | 5.9358e-05 | 5.9358e-05 |   0.0 |  0.00
Modify  | 0.14195    | 0.14195    | 0.14195    |   0.0 |  0.81
Other   |            | 0.02091    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138931.0 ave      138931 max      138931 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138931
Ave neighs/atom = 69.465500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.918291192226, Press = -0.204367620999891
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  399000   -8078.1695   -8078.1695   -8159.5693   -8159.5693    315.02576    315.02576      23368.2      23368.2    357.73514    357.73514 
  400000   -8079.3386   -8079.3386   -8160.4078   -8160.4078    313.74592    313.74592    23367.743    23367.743    349.85077    349.85077 
Loop time of 17.5112 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.106 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04062    | 0.04062    | 0.04062    |   0.0 |  0.23
Output  | 5.8816e-05 | 5.8816e-05 | 5.8816e-05 |   0.0 |  0.00
Modify  | 0.14169    | 0.14169    | 0.14169    |   0.0 |  0.81
Other   |            | 0.02085    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138901.0 ave      138901 max      138901 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138901
Ave neighs/atom = 69.450500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.916539612416, Press = -0.139014130438976
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  400000   -8079.3386   -8079.3386   -8160.4078   -8160.4078    313.74592    313.74592    23367.743    23367.743    349.85077    349.85077 
  401000   -8076.8304   -8076.8304   -8157.6053   -8157.6053    312.60697    312.60697     23375.29     23375.29     246.7473     246.7473 
Loop time of 17.4669 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.947 ns/day, 4.852 hours/ns, 57.251 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.263     | 17.263     | 17.263     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040722   | 0.040722   | 0.040722   |   0.0 |  0.23
Output  | 7.5482e-05 | 7.5482e-05 | 7.5482e-05 |   0.0 |  0.00
Modify  | 0.14184    | 0.14184    | 0.14184    |   0.0 |  0.81
Other   |            | 0.02093    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138743.0 ave      138743 max      138743 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138743
Ave neighs/atom = 69.371500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.911548828589, Press = -0.174425432134186
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  401000   -8076.8304   -8076.8304   -8157.6053   -8157.6053    312.60697    312.60697     23375.29     23375.29     246.7473     246.7473 
  402000   -8077.2949   -8077.2949   -8159.7504   -8159.7504    319.11105    319.11105     23376.92     23376.92   -75.110068   -75.110068 
Loop time of 17.4786 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.943 ns/day, 4.855 hours/ns, 57.213 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.275     | 17.275     | 17.275     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040512   | 0.040512   | 0.040512   |   0.0 |  0.23
Output  | 6.3888e-05 | 6.3888e-05 | 6.3888e-05 |   0.0 |  0.00
Modify  | 0.14182    | 0.14182    | 0.14182    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138928.0 ave      138928 max      138928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138928
Ave neighs/atom = 69.464000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.9094092064, Press = -0.175543036460541
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  402000   -8077.2949   -8077.2949   -8159.7504   -8159.7504    319.11105    319.11105     23376.92     23376.92   -75.110068   -75.110068 
  403000   -8079.1895   -8079.1895   -8160.5373   -8160.5373     314.8245     314.8245    23379.132    23379.132   -466.09776   -466.09776 
Loop time of 17.504 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.130 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.3       | 17.3       | 17.3       |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04082    | 0.04082    | 0.04082    |   0.0 |  0.23
Output  | 8.346e-05  | 8.346e-05  | 8.346e-05  |   0.0 |  0.00
Modify  | 0.14195    | 0.14195    | 0.14195    |   0.0 |  0.81
Other   |            | 0.02095    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138744.0 ave      138744 max      138744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138744
Ave neighs/atom = 69.372000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.915123339154, Press = -0.181879531068278
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  403000   -8079.1895   -8079.1895   -8160.5373   -8160.5373     314.8245     314.8245    23379.132    23379.132   -466.09776   -466.09776 
  404000   -8075.6439   -8075.6439   -8156.9307   -8156.9307    314.58828    314.58828    23373.828    23373.828    80.656178    80.656178 
Loop time of 17.5248 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.062 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.322     | 17.322     | 17.322     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040606   | 0.040606   | 0.040606   |   0.0 |  0.23
Output  | 5.8701e-05 | 5.8701e-05 | 5.8701e-05 |   0.0 |  0.00
Modify  | 0.14184    | 0.14184    | 0.14184    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5435.00 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138724.0 ave      138724 max      138724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138724
Ave neighs/atom = 69.362000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.920959560172, Press = -0.165819851597669
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  404000   -8075.6439   -8075.6439   -8156.9307   -8156.9307    314.58828    314.58828    23373.828    23373.828    80.656178    80.656178 
  405000   -8081.4933   -8081.4933   -8160.8476   -8160.8476    307.10936    307.10936    23388.853    23388.853   -1048.1745   -1048.1745 
Loop time of 17.5073 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.119 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.304     | 17.304     | 17.304     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04054    | 0.04054    | 0.04054    |   0.0 |  0.23
Output  | 5.7594e-05 | 5.7594e-05 | 5.7594e-05 |   0.0 |  0.00
Modify  | 0.14168    | 0.14168    | 0.14168    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138989.0 ave      138989 max      138989 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138989
Ave neighs/atom = 69.494500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.919619866507, Press = -0.259492660086337
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  405000   -8081.4933   -8081.4933   -8160.8476   -8160.8476    307.10936    307.10936    23388.853    23388.853   -1048.1745   -1048.1745 
  406000   -8076.9139   -8076.9139   -8157.2397   -8157.2397    310.86919    310.86919    23373.885    23373.885    540.58929    540.58929 
Loop time of 17.4984 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.861 hours/ns, 57.148 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.295     | 17.295     | 17.295     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040525   | 0.040525   | 0.040525   |   0.0 |  0.23
Output  | 5.7194e-05 | 5.7194e-05 | 5.7194e-05 |   0.0 |  0.00
Modify  | 0.14204    | 0.14204    | 0.14204    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138664.0 ave      138664 max      138664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138664
Ave neighs/atom = 69.332000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.916975913512, Press = -0.0749704338315707
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  406000   -8076.9139   -8076.9139   -8157.2397   -8157.2397    310.86919    310.86919    23373.885    23373.885    540.58929    540.58929 
  407000   -8077.4704   -8077.4704   -8159.9502   -8159.9502    319.20533    319.20533    23349.035    23349.035    1862.6876    1862.6876 
Loop time of 17.499 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.146 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.296     | 17.296     | 17.296     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040683   | 0.040683   | 0.040683   |   0.0 |  0.23
Output  | 5.9544e-05 | 5.9544e-05 | 5.9544e-05 |   0.0 |  0.00
Modify  | 0.14183    | 0.14183    | 0.14183    |   0.0 |  0.81
Other   |            | 0.02089    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138879.0 ave      138879 max      138879 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138879
Ave neighs/atom = 69.439500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.918865999632, Press = -0.259197800365229
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  407000   -8077.4704   -8077.4704   -8159.9502   -8159.9502    319.20533    319.20533    23349.035    23349.035    1862.6876    1862.6876 
  408000   -8077.2799   -8077.2799   -8160.1033   -8160.1033    320.53497    320.53497    23418.686    23418.686   -2994.4378   -2994.4378 
Loop time of 17.5022 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.862 hours/ns, 57.136 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.299     | 17.299     | 17.299     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040718   | 0.040718   | 0.040718   |   0.0 |  0.23
Output  | 5.8489e-05 | 5.8489e-05 | 5.8489e-05 |   0.0 |  0.00
Modify  | 0.14186    | 0.14186    | 0.14186    |   0.0 |  0.81
Other   |            | 0.02086    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138854.0 ave      138854 max      138854 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138854
Ave neighs/atom = 69.427000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.926878284695, Press = -0.350753524528677
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  408000   -8077.2799   -8077.2799   -8160.1033   -8160.1033    320.53497    320.53497    23418.686    23418.686   -2994.4378   -2994.4378 
  409000   -8079.6512   -8079.6512   -8159.6013   -8159.6013    309.41507    309.41507    23378.975    23378.975   -163.23105   -163.23105 
Loop time of 17.4802 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.943 ns/day, 4.856 hours/ns, 57.208 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.277     | 17.277     | 17.277     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040693   | 0.040693   | 0.040693   |   0.0 |  0.23
Output  | 6.1037e-05 | 6.1037e-05 | 6.1037e-05 |   0.0 |  0.00
Modify  | 0.14183    | 0.14183    | 0.14183    |   0.0 |  0.81
Other   |            | 0.02085    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138518.0 ave      138518 max      138518 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138518
Ave neighs/atom = 69.259000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.925450339224, Press = -0.069335429581887
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  409000   -8079.6512   -8079.6512   -8159.6013   -8159.6013    309.41507    309.41507    23378.975    23378.975   -163.23105   -163.23105 
  410000   -8076.0965   -8076.0965    -8157.776    -8157.776    316.10814    316.10814    23361.953    23361.953    913.31197    913.31197 
Loop time of 17.5214 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.867 hours/ns, 57.073 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.318     | 17.318     | 17.318     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040624   | 0.040624   | 0.040624   |   0.0 |  0.23
Output  | 8.4476e-05 | 8.4476e-05 | 8.4476e-05 |   0.0 |  0.00
Modify  | 0.14217    | 0.14217    | 0.14217    |   0.0 |  0.81
Other   |            | 0.02091    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5432.00 ave        5432 max        5432 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138792.0 ave      138792 max      138792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138792
Ave neighs/atom = 69.396000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.931535602654, Press = -0.224132405756518
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  410000   -8076.0965   -8076.0965    -8157.776    -8157.776    316.10814    316.10814    23361.953    23361.953    913.31197    913.31197 
  411000   -8075.8829   -8075.8829   -8159.1866   -8159.1866    322.39368    322.39368    23381.687    23381.687   -252.21379   -252.21379 
Loop time of 17.492 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.859 hours/ns, 57.169 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.289     | 17.289     | 17.289     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040502   | 0.040502   | 0.040502   |   0.0 |  0.23
Output  | 6.2892e-05 | 6.2892e-05 | 6.2892e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138950.0 ave      138950 max      138950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138950
Ave neighs/atom = 69.475000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.933986004004, Press = -0.284555583923939
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  411000   -8075.8829   -8075.8829   -8159.1866   -8159.1866    322.39368    322.39368    23381.687    23381.687   -252.21379   -252.21379 
  412000   -8081.2406   -8081.2406   -8160.2627   -8160.2627    305.82382    305.82382    23369.131    23369.131    320.99581    320.99581 
Loop time of 17.496 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.156 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.293     | 17.293     | 17.293     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040578   | 0.040578   | 0.040578   |   0.0 |  0.23
Output  | 6.079e-05  | 6.079e-05  | 6.079e-05  |   0.0 |  0.00
Modify  | 0.14178    | 0.14178    | 0.14178    |   0.0 |  0.81
Other   |            | 0.02091    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138801.0 ave      138801 max      138801 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138801
Ave neighs/atom = 69.400500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.933180451409, Press = -0.141698727743473
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  412000   -8081.2406   -8081.2406   -8160.2627   -8160.2627    305.82382    305.82382    23369.131    23369.131    320.99581    320.99581 
  413000   -8076.8475   -8076.8475   -8159.0509   -8159.0509    318.13587    318.13587    23348.213    23348.213    2034.2705    2034.2705 
Loop time of 17.506 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.123 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.302     | 17.302     | 17.302     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040705   | 0.040705   | 0.040705   |   0.0 |  0.23
Output  | 6.0573e-05 | 6.0573e-05 | 6.0573e-05 |   0.0 |  0.00
Modify  | 0.14195    | 0.14195    | 0.14195    |   0.0 |  0.81
Other   |            | 0.02086    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138802.0 ave      138802 max      138802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138802
Ave neighs/atom = 69.401000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.928812624967, Press = -0.190888519395913
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  413000   -8076.8475   -8076.8475   -8159.0509   -8159.0509    318.13587    318.13587    23348.213    23348.213    2034.2705    2034.2705 
  414000   -8083.6778   -8083.6778   -8159.7793   -8159.7793     294.5207     294.5207    23380.991    23380.991   -593.03465   -593.03465 
Loop time of 17.4952 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.860 hours/ns, 57.159 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.292     | 17.292     | 17.292     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040564   | 0.040564   | 0.040564   |   0.0 |  0.23
Output  | 5.9481e-05 | 5.9481e-05 | 5.9481e-05 |   0.0 |  0.00
Modify  | 0.1416     | 0.1416     | 0.1416     |   0.0 |  0.81
Other   |            | 0.02092    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138889.0 ave      138889 max      138889 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138889
Ave neighs/atom = 69.444500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.923690253621, Press = -0.432777519659906
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  414000   -8083.6778   -8083.6778   -8159.7793   -8159.7793     294.5207     294.5207    23380.991    23380.991   -593.03465   -593.03465 
  415000   -8076.6058   -8076.6058   -8160.3235   -8160.3235    323.99623    323.99623    23411.888    23411.888   -2734.5444   -2734.5444 
Loop time of 17.5045 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.936 ns/day, 4.862 hours/ns, 57.128 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.301     | 17.301     | 17.301     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04068    | 0.04068    | 0.04068    |   0.0 |  0.23
Output  | 5.8076e-05 | 5.8076e-05 | 5.8076e-05 |   0.0 |  0.00
Modify  | 0.1421     | 0.1421     | 0.1421     |   0.0 |  0.81
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138669.0 ave      138669 max      138669 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138669
Ave neighs/atom = 69.334500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.924519188074, Press = -0.154722479023309
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  415000   -8076.6058   -8076.6058   -8160.3235   -8160.3235    323.99623    323.99623    23411.888    23411.888   -2734.5444   -2734.5444 
  416000   -8081.4772   -8081.4772   -8161.2189   -8161.2189    308.60886    308.60886    23343.647    23343.647    1961.8864    1961.8864 
Loop time of 17.486 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.857 hours/ns, 57.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.282     | 17.282     | 17.282     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040816   | 0.040816   | 0.040816   |   0.0 |  0.23
Output  | 6.041e-05  | 6.041e-05  | 6.041e-05  |   0.0 |  0.00
Modify  | 0.1419     | 0.1419     | 0.1419     |   0.0 |  0.81
Other   |            | 0.02091    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138494.0 ave      138494 max      138494 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138494
Ave neighs/atom = 69.247000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.919842400363, Press = -0.10556925401276
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  416000   -8081.4772   -8081.4772   -8161.2189   -8161.2189    308.60886    308.60886    23343.647    23343.647    1961.8864    1961.8864 
  417000   -8079.7964   -8079.7964   -8162.0414   -8162.0414    318.29676    318.29676    23361.861    23361.861    981.77742    981.77742 
Loop time of 17.5137 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.933 ns/day, 4.865 hours/ns, 57.098 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.31      | 17.31      | 17.31      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040424   | 0.040424   | 0.040424   |   0.0 |  0.23
Output  | 8.7198e-05 | 8.7198e-05 | 8.7198e-05 |   0.0 |  0.00
Modify  | 0.14189    | 0.14189    | 0.14189    |   0.0 |  0.81
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5426.00 ave        5426 max        5426 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138915.0 ave      138915 max      138915 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138915
Ave neighs/atom = 69.457500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.91997804903, Press = -0.249221183522778
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  417000   -8079.7964   -8079.7964   -8162.0414   -8162.0414    318.29676    318.29676    23361.861    23361.861    981.77742    981.77742 
  418000   -8074.4001   -8074.4001    -8157.233    -8157.233    320.57199    320.57199    23401.771    23401.771   -1323.1819   -1323.1819 
Loop time of 17.4919 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.859 hours/ns, 57.169 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.289     | 17.289     | 17.289     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040636   | 0.040636   | 0.040636   |   0.0 |  0.23
Output  | 6.1565e-05 | 6.1565e-05 | 6.1565e-05 |   0.0 |  0.00
Modify  | 0.14169    | 0.14169    | 0.14169    |   0.0 |  0.81
Other   |            | 0.02082    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138832.0 ave      138832 max      138832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138832
Ave neighs/atom = 69.416000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.925978905188, Press = -0.255974549282008
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  418000   -8074.4001   -8074.4001    -8157.233    -8157.233    320.57199    320.57199    23401.771    23401.771   -1323.1819   -1323.1819 
  419000   -8078.6566   -8078.6566   -8158.1678   -8158.1678    307.71659    307.71659    23362.707    23362.707    1172.3624    1172.3624 
Loop time of 17.5246 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.930 ns/day, 4.868 hours/ns, 57.063 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.321     | 17.321     | 17.321     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0405     | 0.0405     | 0.0405     |   0.0 |  0.23
Output  | 5.835e-05  | 5.835e-05  | 5.835e-05  |   0.0 |  0.00
Modify  | 0.14172    | 0.14172    | 0.14172    |   0.0 |  0.81
Other   |            | 0.02089    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138803.0 ave      138803 max      138803 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138803
Ave neighs/atom = 69.401500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.929598086621, Press = 0.086089908524986
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  419000   -8078.6566   -8078.6566   -8158.1678   -8158.1678    307.71659    307.71659    23362.707    23362.707    1172.3624    1172.3624 
  420000    -8081.065    -8081.065   -8163.0975   -8163.0975    317.47437    317.47437    23323.352    23323.352    3413.0064    3413.0064 
Loop time of 17.5116 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.105 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040523   | 0.040523   | 0.040523   |   0.0 |  0.23
Output  | 5.9738e-05 | 5.9738e-05 | 5.9738e-05 |   0.0 |  0.00
Modify  | 0.14173    | 0.14173    | 0.14173    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138916.0 ave      138916 max      138916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138916
Ave neighs/atom = 69.458000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.93291410943, Press = -0.312909757211162
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  420000    -8081.065    -8081.065   -8163.0975   -8163.0975    317.47437    317.47437    23323.352    23323.352    3413.0064    3413.0064 
  421000   -8077.2741   -8077.2741   -8158.8068   -8158.8068    315.54017    315.54017    23389.188    23389.188   -982.01772   -982.01772 
Loop time of 17.5115 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.105 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.308     | 17.308     | 17.308     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040675   | 0.040675   | 0.040675   |   0.0 |  0.23
Output  | 5.6947e-05 | 5.6947e-05 | 5.6947e-05 |   0.0 |  0.00
Modify  | 0.14173    | 0.14173    | 0.14173    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138917.0 ave      138917 max      138917 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138917
Ave neighs/atom = 69.458500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.927911079657, Press = -0.265987838237619
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  421000   -8077.2741   -8077.2741   -8158.8068   -8158.8068    315.54017    315.54017    23389.188    23389.188   -982.01772   -982.01772 
  422000   -8079.7166   -8079.7166   -8160.1373   -8160.1373    311.23669    311.23669    23375.742    23375.742   -89.944588   -89.944588 
Loop time of 17.485 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.857 hours/ns, 57.192 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.282     | 17.282     | 17.282     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040374   | 0.040374   | 0.040374   |   0.0 |  0.23
Output  | 6.4071e-05 | 6.4071e-05 | 6.4071e-05 |   0.0 |  0.00
Modify  | 0.14172    | 0.14172    | 0.14172    |   0.0 |  0.81
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5427.00 ave        5427 max        5427 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138835.0 ave      138835 max      138835 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138835
Ave neighs/atom = 69.417500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.926721634012, Press = -0.117801533055802
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  422000   -8079.7166   -8079.7166   -8160.1373   -8160.1373    311.23669    311.23669    23375.742    23375.742   -89.944588   -89.944588 
  423000   -8077.7122   -8077.7122   -8158.8897   -8158.8897    314.16543    314.16543    23357.122    23357.122    1203.3577    1203.3577 
Loop time of 17.4996 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.144 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.296     | 17.296     | 17.296     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040607   | 0.040607   | 0.040607   |   0.0 |  0.23
Output  | 7.1514e-05 | 7.1514e-05 | 7.1514e-05 |   0.0 |  0.00
Modify  | 0.14184    | 0.14184    | 0.14184    |   0.0 |  0.81
Other   |            | 0.02095    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138730.0 ave      138730 max      138730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138730
Ave neighs/atom = 69.365000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.925332345922, Press = -0.189384090900094
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  423000   -8077.7122   -8077.7122   -8158.8897   -8158.8897    314.16543    314.16543    23357.122    23357.122    1203.3577    1203.3577 
  424000   -8079.5348   -8079.5348   -8160.6954   -8160.6954    314.09999    314.09999    23391.362    23391.362   -1142.1913   -1142.1913 
Loop time of 17.5128 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.865 hours/ns, 57.101 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.31      | 17.31      | 17.31      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040631   | 0.040631   | 0.040631   |   0.0 |  0.23
Output  | 5.8132e-05 | 5.8132e-05 | 5.8132e-05 |   0.0 |  0.00
Modify  | 0.14159    | 0.14159    | 0.14159    |   0.0 |  0.81
Other   |            | 0.02091    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138908.0 ave      138908 max      138908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138908
Ave neighs/atom = 69.454000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.931313565237, Press = -0.272758363086767
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  424000   -8079.5348   -8079.5348   -8160.6954   -8160.6954    314.09999    314.09999    23391.362    23391.362   -1142.1913   -1142.1913 
  425000   -8076.7719   -8076.7719     -8158.04     -8158.04    314.51622    314.51622     23378.47     23378.47   -50.047813   -50.047813 
Loop time of 17.5211 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.867 hours/ns, 57.074 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.318     | 17.318     | 17.318     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04052    | 0.04052    | 0.04052    |   0.0 |  0.23
Output  | 5.9522e-05 | 5.9522e-05 | 5.9522e-05 |   0.0 |  0.00
Modify  | 0.14171    | 0.14171    | 0.14171    |   0.0 |  0.81
Other   |            | 0.02093    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138774.0 ave      138774 max      138774 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138774
Ave neighs/atom = 69.387000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.929094016601, Press = -0.085685152520219
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  425000   -8076.7719   -8076.7719     -8158.04     -8158.04    314.51622    314.51622     23378.47     23378.47   -50.047813   -50.047813 
  426000   -8081.0641   -8081.0641   -8160.5755   -8160.5755    307.71714    307.71714    23355.951    23355.951    1339.1955    1339.1955 
Loop time of 17.4887 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.858 hours/ns, 57.180 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.285     | 17.285     | 17.285     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040632   | 0.040632   | 0.040632   |   0.0 |  0.23
Output  | 5.8726e-05 | 5.8726e-05 | 5.8726e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138792.0 ave      138792 max      138792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138792
Ave neighs/atom = 69.396000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.923842814773, Press = -0.20189869610033
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  426000   -8081.0641   -8081.0641   -8160.5755   -8160.5755    307.71714    307.71714    23355.951    23355.951    1339.1955    1339.1955 
  427000   -8077.0003   -8077.0003   -8159.4044   -8159.4044    318.91215    318.91215    23381.531    23381.531   -296.30825   -296.30825 
Loop time of 17.4923 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.939 ns/day, 4.859 hours/ns, 57.168 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.289     | 17.289     | 17.289     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040683   | 0.040683   | 0.040683   |   0.0 |  0.23
Output  | 5.8143e-05 | 5.8143e-05 | 5.8143e-05 |   0.0 |  0.00
Modify  | 0.14174    | 0.14174    | 0.14174    |   0.0 |  0.81
Other   |            | 0.02088    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138882.0 ave      138882 max      138882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138882
Ave neighs/atom = 69.441000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.923751961123, Press = -0.334661222015487
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  427000   -8077.0003   -8077.0003   -8159.4044   -8159.4044    318.91215    318.91215    23381.531    23381.531   -296.30825   -296.30825 
  428000   -8079.3715   -8079.3715   -8159.4906   -8159.4906    310.06909    310.06909    23417.474    23417.474   -2913.5869   -2913.5869 
Loop time of 17.486 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.857 hours/ns, 57.188 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.283     | 17.283     | 17.283     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040544   | 0.040544   | 0.040544   |   0.0 |  0.23
Output  | 5.7218e-05 | 5.7218e-05 | 5.7218e-05 |   0.0 |  0.00
Modify  | 0.14178    | 0.14178    | 0.14178    |   0.0 |  0.81
Other   |            | 0.02083    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5431.00 ave        5431 max        5431 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138817.0 ave      138817 max      138817 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138817
Ave neighs/atom = 69.408500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.924427736968, Press = -0.10189043443335
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  428000   -8079.3715   -8079.3715   -8159.4906   -8159.4906    310.06909    310.06909    23417.474    23417.474   -2913.5869   -2913.5869 
  429000    -8076.749    -8076.749   -8158.8045   -8158.8045    317.56334    317.56334    23337.024    23337.024    2802.1761    2802.1761 
Loop time of 17.4793 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.943 ns/day, 4.855 hours/ns, 57.211 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.276     | 17.276     | 17.276     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040391   | 0.040391   | 0.040391   |   0.0 |  0.23
Output  | 5.901e-05  | 5.901e-05  | 5.901e-05  |   0.0 |  0.00
Modify  | 0.14176    | 0.14176    | 0.14176    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5439.00 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138592.0 ave      138592 max      138592 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138592
Ave neighs/atom = 69.296000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.932663870407, Press = 0.00104938398948605
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  429000    -8076.749    -8076.749   -8158.8045   -8158.8045    317.56334    317.56334    23337.024    23337.024    2802.1761    2802.1761 
  430000   -8080.5111   -8080.5111   -8161.8643   -8161.8643    314.84514    314.84514    23372.638    23372.638    10.587491    10.587491 
Loop time of 17.5281 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.051 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.325     | 17.325     | 17.325     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04072    | 0.04072    | 0.04072    |   0.0 |  0.23
Output  | 7.7457e-05 | 7.7457e-05 | 7.7457e-05 |   0.0 |  0.00
Modify  | 0.14187    | 0.14187    | 0.14187    |   0.0 |  0.81
Other   |            | 0.02087    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138978.0 ave      138978 max      138978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138978
Ave neighs/atom = 69.489000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.93181740502, Press = -0.329755767236153
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  430000   -8080.5111   -8080.5111   -8161.8643   -8161.8643    314.84514    314.84514    23372.638    23372.638    10.587491    10.587491 
  431000   -8077.1438   -8077.1438   -8157.9949   -8157.9949    312.90209    312.90209    23398.102    23398.102   -1133.0828   -1133.0828 
Loop time of 17.4849 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.857 hours/ns, 57.192 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.282     | 17.282     | 17.282     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040775   | 0.040775   | 0.040775   |   0.0 |  0.23
Output  | 5.9178e-05 | 5.9178e-05 | 5.9178e-05 |   0.0 |  0.00
Modify  | 0.14163    | 0.14163    | 0.14163    |   0.0 |  0.81
Other   |            | 0.0209     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138742.0 ave      138742 max      138742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138742
Ave neighs/atom = 69.371000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.932408202694, Press = -0.211699500520545
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  431000   -8077.1438   -8077.1438   -8157.9949   -8157.9949    312.90209    312.90209    23398.102    23398.102   -1133.0828   -1133.0828 
  432000   -8074.8305   -8074.8305   -8154.7163   -8154.7163    309.16649    309.16649    23378.397    23378.397    385.65249    385.65249 
Loop time of 17.4909 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.940 ns/day, 4.859 hours/ns, 57.173 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.288     | 17.288     | 17.288     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040642   | 0.040642   | 0.040642   |   0.0 |  0.23
Output  | 5.9445e-05 | 5.9445e-05 | 5.9445e-05 |   0.0 |  0.00
Modify  | 0.14173    | 0.14173    | 0.14173    |   0.0 |  0.81
Other   |            | 0.02092    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138664.0 ave      138664 max      138664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138664
Ave neighs/atom = 69.332000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.935269682911, Press = -0.128468776216223
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  432000   -8074.8305   -8074.8305   -8154.7163   -8154.7163    309.16649    309.16649    23378.397    23378.397    385.65249    385.65249 
  433000   -8079.3242   -8079.3242   -8159.9556   -8159.9556    312.05158    312.05158    23366.337    23366.337      264.526      264.526 
Loop time of 17.5099 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.934 ns/day, 4.864 hours/ns, 57.111 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.306     | 17.306     | 17.306     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040632   | 0.040632   | 0.040632   |   0.0 |  0.23
Output  | 5.7477e-05 | 5.7477e-05 | 5.7477e-05 |   0.0 |  0.00
Modify  | 0.14194    | 0.14194    | 0.14194    |   0.0 |  0.81
Other   |            | 0.0208     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138954.0 ave      138954 max      138954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138954
Ave neighs/atom = 69.477000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.942216507793, Press = -0.279671698959023
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  433000   -8079.3242   -8079.3242   -8159.9556   -8159.9556    312.05158    312.05158    23366.337    23366.337      264.526      264.526 
  434000   -8074.1558   -8074.1558   -8155.9694   -8155.9694    316.62702    316.62702    23445.276    23445.276   -4057.9556   -4057.9556 
Loop time of 17.5089 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.864 hours/ns, 57.114 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.306     | 17.306     | 17.306     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040608   | 0.040608   | 0.040608   |   0.0 |  0.23
Output  | 5.7642e-05 | 5.7642e-05 | 5.7642e-05 |   0.0 |  0.00
Modify  | 0.14178    | 0.14178    | 0.14178    |   0.0 |  0.81
Other   |            | 0.02085    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138894.0 ave      138894 max      138894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138894
Ave neighs/atom = 69.447000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.947890546551, Press = -0.191245999356004
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  434000   -8074.1558   -8074.1558   -8155.9694   -8155.9694    316.62702    316.62702    23445.276    23445.276   -4057.9556   -4057.9556 
  435000    -8078.693    -8078.693   -8157.8644   -8157.8644    306.40162    306.40162    23351.638    23351.638    1833.5578    1833.5578 
Loop time of 17.4867 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.941 ns/day, 4.857 hours/ns, 57.186 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.283     | 17.283     | 17.283     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0407     | 0.0407     | 0.0407     |   0.0 |  0.23
Output  | 6.2199e-05 | 6.2199e-05 | 6.2199e-05 |   0.0 |  0.00
Modify  | 0.14162    | 0.14162    | 0.14162    |   0.0 |  0.81
Other   |            | 0.02084    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5425.00 ave        5425 max        5425 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138577.0 ave      138577 max      138577 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138577
Ave neighs/atom = 69.288500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
23376.3608494935

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0