# 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 2.866007231175899*${_u_distance}
variable latticeconst_converted equal 2.866007231175899*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.8660072311759
Lattice spacing in x,y,z = 2.8660072 2.8660072 2.8660072
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 (28.660072 28.660072 28.660072)
  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 (28.660072 28.660072 28.660072)
  create_atoms CPU = 0.003 seconds

variable mass_converted equal 51.9961*${_u_mass}
variable mass_converted equal 51.9961*1

kim_interactions Cr

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

kim interactions Cr
#=== 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-XXXXXXtLaNIK/FeCr_d.eam.alloy Cr
pair_coeff * * eam/fs /tmp/kim-shared-library-parameter-file-directory-XXXXXXtLaNIK/FeCr_s.eam.fs Cr
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 51.9961

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23541.3760861316    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23541.3760861316/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23541.3760861316/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23541.3760861316/(1*1*${_u_distance})
variable      V0_metal equal 23541.3760861316/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23541.3760861316*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23541.3760861316 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 293.15*${_u_temperature}
variable temp_converted equal 293.15*1
variable Tdamp_converted equal 0.1*${_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 293.15 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 293.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 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  "293.15 - 0.2"
variable      T_up  equal  "293.15 + 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   -8126.7241   -8126.7241   -8202.4715   -8202.4715       293.15       293.15    23541.376    23541.376    3436.7931    3436.7931 
    1000   -8051.1538   -8051.1538   -8128.6152   -8128.6152    299.78362    299.78362    23590.104    23590.104    791.85353    791.85353 
Loop time of 40.77 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.119 ns/day, 11.325 hours/ns, 24.528 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    | 40.222     | 40.222     | 40.222     |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12758    | 0.12758    | 0.12758    |   0.0 |  0.31
Output  | 0.00024056 | 0.00024056 | 0.00024056 |   0.0 |  0.00
Modify  | 0.35408    | 0.35408    | 0.35408    |   0.0 |  0.87
Other   |            | 0.0663     |            |       |  0.16

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   -8051.1538   -8051.1538   -8128.6152   -8128.6152    299.78362    299.78362    23590.104    23590.104    791.85353    791.85353 
    2000   -8048.3387   -8048.3387   -8128.6536   -8128.6536      310.827      310.827    23614.544    23614.544   -878.73305   -878.73305 
Loop time of 41.4591 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.084 ns/day, 11.516 hours/ns, 24.120 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    | 40.905     | 40.905     | 40.905     |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12795    | 0.12795    | 0.12795    |   0.0 |  0.31
Output  | 0.00019021 | 0.00019021 | 0.00019021 |   0.0 |  0.00
Modify  | 0.35835    | 0.35835    | 0.35835    |   0.0 |  0.86
Other   |            | 0.06726    |            |       |  0.16

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:        137097.0 ave      137097 max      137097 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137097
Ave neighs/atom = 68.548500
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 = 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   -8048.3387   -8048.3387   -8128.6536   -8128.6536      310.827      310.827    23614.544    23614.544   -878.73305   -878.73305 
    3000   -8052.7522   -8052.7522   -8120.5357   -8120.5357    262.32914    262.32914     23651.52     23651.52   -4801.8955   -4801.8955 
Loop time of 40.9625 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.109 ns/day, 11.378 hours/ns, 24.413 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    | 40.421     | 40.421     | 40.421     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12457    | 0.12457    | 0.12457    |   0.0 |  0.30
Output  | 0.00022245 | 0.00022245 | 0.00022245 |   0.0 |  0.00
Modify  | 0.35041    | 0.35041    | 0.35041    |   0.0 |  0.86
Other   |            | 0.06617    |            |       |  0.16

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:        136871.0 ave      136871 max      136871 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136871
Ave neighs/atom = 68.435500
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 = 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   -8052.7522   -8052.7522   -8120.5357   -8120.5357    262.32914    262.32914     23651.52     23651.52   -4801.8955   -4801.8955 
    4000   -8048.4971   -8048.4971   -8123.7116   -8123.7116    291.08802    291.08802    23630.245    23630.245   -2481.3641   -2481.3641 
Loop time of 41.3168 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.091 ns/day, 11.477 hours/ns, 24.203 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    | 40.773     | 40.773     | 40.773     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1243     | 0.1243     | 0.1243     |   0.0 |  0.30
Output  | 0.00018996 | 0.00018996 | 0.00018996 |   0.0 |  0.00
Modify  | 0.35264    | 0.35264    | 0.35264    |   0.0 |  0.85
Other   |            | 0.06625    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5411.00 ave        5411 max        5411 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        137172.0 ave      137172 max      137172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137172
Ave neighs/atom = 68.586000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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   -8048.4971   -8048.4971   -8123.7116   -8123.7116    291.08802    291.08802    23630.245    23630.245   -2481.3641   -2481.3641 
    5000    -8052.034    -8052.034   -8127.1142   -8127.1142     290.5679     290.5679    23606.299    23606.299   -285.84611   -285.84611 
Loop time of 41.516 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.081 ns/day, 11.532 hours/ns, 24.087 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    | 40.965     | 40.965     | 40.965     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12565    | 0.12565    | 0.12565    |   0.0 |  0.30
Output  | 0.00015495 | 0.00015495 | 0.00015495 |   0.0 |  0.00
Modify  | 0.35903    | 0.35903    | 0.35903    |   0.0 |  0.86
Other   |            | 0.06578    |            |       |  0.16

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:        137183.0 ave      137183 max      137183 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137183
Ave neighs/atom = 68.591500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 284.765911720692, Press = 888.771434420986
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8052.034    -8052.034   -8127.1142   -8127.1142     290.5679     290.5679    23606.299    23606.299   -285.84611   -285.84611 
    6000   -8050.5389   -8050.5389   -8124.9365   -8124.9365    287.92649    287.92649    23594.642    23594.642    897.22009    897.22009 
Loop time of 42.3505 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.040 ns/day, 11.764 hours/ns, 23.612 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    | 41.767     | 41.767     | 41.767     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12966    | 0.12966    | 0.12966    |   0.0 |  0.31
Output  | 0.00015684 | 0.00015684 | 0.00015684 |   0.0 |  0.00
Modify  | 0.38759    | 0.38759    | 0.38759    |   0.0 |  0.92
Other   |            | 0.06655    |            |       |  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:        137093.0 ave      137093 max      137093 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137093
Ave neighs/atom = 68.546500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.680398573354, Press = 67.2880903271715
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.5389   -8050.5389   -8124.9365   -8124.9365    287.92649    287.92649    23594.642    23594.642    897.22009    897.22009 
    7000   -8050.6805   -8050.6805   -8130.5943   -8130.5943    309.27469    309.27469    23586.003    23586.003    1739.9889    1739.9889 
Loop time of 41.2062 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.097 ns/day, 11.446 hours/ns, 24.268 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    | 40.645     | 40.645     | 40.645     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12511    | 0.12511    | 0.12511    |   0.0 |  0.30
Output  | 0.00015364 | 0.00015364 | 0.00015364 |   0.0 |  0.00
Modify  | 0.37023    | 0.37023    | 0.37023    |   0.0 |  0.90
Other   |            | 0.06558    |            |       |  0.16

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:        137068.0 ave      137068 max      137068 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137068
Ave neighs/atom = 68.534000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.353451774496, Press = 37.4973494467427
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.6805   -8050.6805   -8130.5943   -8130.5943    309.27469    309.27469    23586.003    23586.003    1739.9889    1739.9889 
    8000   -8051.6126   -8051.6126   -8128.5296   -8128.5296    297.67701    297.67701    23549.051    23549.051    4728.5279    4728.5279 
Loop time of 43.3557 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.993 ns/day, 12.043 hours/ns, 23.065 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    | 42.76      | 42.76      | 42.76      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13171    | 0.13171    | 0.13171    |   0.0 |  0.30
Output  | 0.00019249 | 0.00019249 | 0.00019249 |   0.0 |  0.00
Modify  | 0.39695    | 0.39695    | 0.39695    |   0.0 |  0.92
Other   |            | 0.06694    |            |       |  0.15

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:        136866.0 ave      136866 max      136866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136866
Ave neighs/atom = 68.433000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.791248735982, Press = 10.8912159005263
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.6126   -8051.6126   -8128.5296   -8128.5296    297.67701    297.67701    23549.051    23549.051    4728.5279    4728.5279 
    9000   -8046.5968   -8046.5968   -8125.4767   -8125.4767     305.2735     305.2735    23589.929    23589.929    1481.3252    1481.3252 
Loop time of 43.0846 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.968 hours/ns, 23.210 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    | 42.493     | 42.493     | 42.493     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13113    | 0.13113    | 0.13113    |   0.0 |  0.30
Output  | 0.00018962 | 0.00018962 | 0.00018962 |   0.0 |  0.00
Modify  | 0.39415    | 0.39415    | 0.39415    |   0.0 |  0.91
Other   |            | 0.06629    |            |       |  0.15

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:        137157.0 ave      137157 max      137157 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137157
Ave neighs/atom = 68.578500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.526264147033, Press = -6.59603507523963
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8046.5968   -8046.5968   -8125.4767   -8125.4767     305.2735     305.2735    23589.929    23589.929    1481.3252    1481.3252 
   10000    -8051.096    -8051.096   -8123.2979   -8123.2979    279.42863    279.42863    23601.393    23601.393    95.602921    95.602921 
Loop time of 43.2678 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.997 ns/day, 12.019 hours/ns, 23.112 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    | 42.675     | 42.675     | 42.675     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13086    | 0.13086    | 0.13086    |   0.0 |  0.30
Output  | 0.00019026 | 0.00019026 | 0.00019026 |   0.0 |  0.00
Modify  | 0.39496    | 0.39496    | 0.39496    |   0.0 |  0.91
Other   |            | 0.06668    |            |       |  0.15

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:        137066.0 ave      137066 max      137066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137066
Ave neighs/atom = 68.533000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.834803958607, Press = -5.72102506782973
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8051.096    -8051.096   -8123.2979   -8123.2979    279.42863    279.42863    23601.393    23601.393    95.602921    95.602921 
   11000   -8050.7373   -8050.7373   -8130.3477   -8130.3477    308.10044    308.10044    23630.263    23630.263   -2274.6832   -2274.6832 
Loop time of 42.9657 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.011 ns/day, 11.935 hours/ns, 23.274 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    | 42.374     | 42.374     | 42.374     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13165    | 0.13165    | 0.13165    |   0.0 |  0.31
Output  | 0.0001547  | 0.0001547  | 0.0001547  |   0.0 |  0.00
Modify  | 0.39334    | 0.39334    | 0.39334    |   0.0 |  0.92
Other   |            | 0.06697    |            |       |  0.16

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:        137183.0 ave      137183 max      137183 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137183
Ave neighs/atom = 68.591500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.17450800538, Press = -1.10182706257465
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.7373   -8050.7373   -8130.3477   -8130.3477    308.10044    308.10044    23630.263    23630.263   -2274.6832   -2274.6832 
   12000   -8048.6785   -8048.6785    -8123.052    -8123.052    287.83288    287.83288    23628.139    23628.139   -2409.9216   -2409.9216 
Loop time of 43.4009 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.991 ns/day, 12.056 hours/ns, 23.041 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    | 42.798     | 42.798     | 42.798     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13248    | 0.13248    | 0.13248    |   0.0 |  0.31
Output  | 0.0002092  | 0.0002092  | 0.0002092  |   0.0 |  0.00
Modify  | 0.40278    | 0.40278    | 0.40278    |   0.0 |  0.93
Other   |            | 0.06756    |            |       |  0.16

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:        136876.0 ave      136876 max      136876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136876
Ave neighs/atom = 68.438000
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 = 292.938867306437, Press = 4.93583936192511
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.6785   -8048.6785    -8123.052    -8123.052    287.83288    287.83288    23628.139    23628.139   -2409.9216   -2409.9216 
   13000   -8053.4132   -8053.4132    -8127.484    -8127.484    286.66169    286.66169    23627.362    23627.362   -2243.4648   -2243.4648 
Loop time of 42.5824 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.029 ns/day, 11.828 hours/ns, 23.484 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    | 41.996     | 41.996     | 41.996     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12867    | 0.12867    | 0.12867    |   0.0 |  0.30
Output  | 0.00015672 | 0.00015672 | 0.00015672 |   0.0 |  0.00
Modify  | 0.39138    | 0.39138    | 0.39138    |   0.0 |  0.92
Other   |            | 0.0663     |            |       |  0.16

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:        137112.0 ave      137112 max      137112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137112
Ave neighs/atom = 68.556000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.865845627023, Press = 7.49827170504927
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.4132   -8053.4132    -8127.484    -8127.484    286.66169    286.66169    23627.362    23627.362   -2243.4648   -2243.4648 
   14000   -8048.7494   -8048.7494   -8122.6864   -8122.6864    286.14385    286.14385    23610.175    23610.175   -617.68505   -617.68505 
Loop time of 43.0274 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.952 hours/ns, 23.241 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    | 42.432     | 42.432     | 42.432     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13202    | 0.13202    | 0.13202    |   0.0 |  0.31
Output  | 0.00015686 | 0.00015686 | 0.00015686 |   0.0 |  0.00
Modify  | 0.39678    | 0.39678    | 0.39678    |   0.0 |  0.92
Other   |            | 0.0668     |            |       |  0.16

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:        136916.0 ave      136916 max      136916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136916
Ave neighs/atom = 68.458000
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 = 292.665447140343, Press = 16.1567282155408
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.7494   -8048.7494   -8122.6864   -8122.6864    286.14385    286.14385    23610.175    23610.175   -617.68505   -617.68505 
   15000   -8050.9726   -8050.9726   -8126.1094   -8126.1094    290.78734    290.78734    23576.287    23576.287    2553.4301    2553.4301 
Loop time of 42.1058 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.052 ns/day, 11.696 hours/ns, 23.750 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    | 41.524     | 41.524     | 41.524     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12891    | 0.12891    | 0.12891    |   0.0 |  0.31
Output  | 0.00015375 | 0.00015375 | 0.00015375 |   0.0 |  0.00
Modify  | 0.38652    | 0.38652    | 0.38652    |   0.0 |  0.92
Other   |            | 0.06613    |            |       |  0.16

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:        137068.0 ave      137068 max      137068 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137068
Ave neighs/atom = 68.534000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.643831412647, Press = 10.8511247682128
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.9726   -8050.9726   -8126.1094   -8126.1094    290.78734    290.78734    23576.287    23576.287    2553.4301    2553.4301 
   16000   -8050.9968   -8050.9968    -8126.259    -8126.259    291.27231    291.27231    23580.519    23580.519    2298.8426    2298.8426 
Loop time of 43.3741 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.992 ns/day, 12.048 hours/ns, 23.055 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    | 42.776     | 42.776     | 42.776     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13199    | 0.13199    | 0.13199    |   0.0 |  0.30
Output  | 0.00015479 | 0.00015479 | 0.00015479 |   0.0 |  0.00
Modify  | 0.39903    | 0.39903    | 0.39903    |   0.0 |  0.92
Other   |            | 0.06718    |            |       |  0.15

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:        137132.0 ave      137132 max      137132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137132
Ave neighs/atom = 68.566000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.738505154563, Press = 4.99083512603617
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.9968   -8050.9968    -8126.259    -8126.259    291.27231    291.27231    23580.519    23580.519    2298.8426    2298.8426 
   17000   -8048.6774   -8048.6774   -8124.4169   -8124.4169    293.11991    293.11991    23588.296    23588.296    1373.8782    1373.8782 
Loop time of 42.3567 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.040 ns/day, 11.766 hours/ns, 23.609 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    | 41.783     | 41.783     | 41.783     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12823    | 0.12823    | 0.12823    |   0.0 |  0.30
Output  | 0.00015372 | 0.00015372 | 0.00015372 |   0.0 |  0.00
Modify  | 0.38083    | 0.38083    | 0.38083    |   0.0 |  0.90
Other   |            | 0.06495    |            |       |  0.15

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:        137019.0 ave      137019 max      137019 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137019
Ave neighs/atom = 68.509500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.725917447322, Press = 1.18144126887624
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.6774   -8048.6774   -8124.4169   -8124.4169    293.11991    293.11991    23588.296    23588.296    1373.8782    1373.8782 
   18000   -8048.9013   -8048.9013   -8129.1717   -8129.1717    310.65468    310.65468    23605.478    23605.478   -164.06508   -164.06508 
Loop time of 42.6711 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.025 ns/day, 11.853 hours/ns, 23.435 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    | 42.084     | 42.084     | 42.084     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12969    | 0.12969    | 0.12969    |   0.0 |  0.30
Output  | 0.00023364 | 0.00023364 | 0.00023364 |   0.0 |  0.00
Modify  | 0.39052    | 0.39052    | 0.39052    |   0.0 |  0.92
Other   |            | 0.06623    |            |       |  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:        137189.0 ave      137189 max      137189 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137189
Ave neighs/atom = 68.594500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.9196393145, Press = 0.193948518006469
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.9013   -8048.9013   -8129.1717   -8129.1717    310.65468    310.65468    23605.478    23605.478   -164.06508   -164.06508 
   19000    -8048.695    -8048.695     -8129.45     -8129.45    312.53006    312.53006    23620.795    23620.795   -1579.7392   -1579.7392 
Loop time of 43.8775 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.969 ns/day, 12.188 hours/ns, 22.791 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    | 43.27      | 43.27      | 43.27      |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13394    | 0.13394    | 0.13394    |   0.0 |  0.31
Output  | 0.00019123 | 0.00019123 | 0.00019123 |   0.0 |  0.00
Modify  | 0.40663    | 0.40663    | 0.40663    |   0.0 |  0.93
Other   |            | 0.06724    |            |       |  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:        136893.0 ave      136893 max      136893 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136893
Ave neighs/atom = 68.446500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.96122782526, Press = -3.32456830882202
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8048.695    -8048.695     -8129.45     -8129.45    312.53006    312.53006    23620.795    23620.795   -1579.7392   -1579.7392 
   20000   -8054.5919   -8054.5919   -8127.4085   -8127.4085    281.80766    281.80766    23660.494    23660.494   -5321.1582   -5321.1582 
Loop time of 42.5004 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.033 ns/day, 11.806 hours/ns, 23.529 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    | 41.913     | 41.913     | 41.913     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1298     | 0.1298     | 0.1298     |   0.0 |  0.31
Output  | 0.00015537 | 0.00015537 | 0.00015537 |   0.0 |  0.00
Modify  | 0.39005    | 0.39005    | 0.39005    |   0.0 |  0.92
Other   |            | 0.06719    |            |       |  0.16

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:        136994.0 ave      136994 max      136994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136994
Ave neighs/atom = 68.497000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.876112281064, Press = -0.698639048085803
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8054.5919   -8054.5919   -8127.4085   -8127.4085    281.80766    281.80766    23660.494    23660.494   -5321.1582   -5321.1582 
   21000   -8050.0342   -8050.0342   -8123.6832   -8123.6832     285.0291     285.0291    23630.232    23630.232   -2644.8395   -2644.8395 
Loop time of 41.4073 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.502 hours/ns, 24.150 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    | 40.839     | 40.839     | 40.839     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12538    | 0.12538    | 0.12538    |   0.0 |  0.30
Output  | 0.00015459 | 0.00015459 | 0.00015459 |   0.0 |  0.00
Modify  | 0.37567    | 0.37567    | 0.37567    |   0.0 |  0.91
Other   |            | 0.0667     |            |       |  0.16

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:        136792.0 ave      136792 max      136792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136792
Ave neighs/atom = 68.396000
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 = 292.726129202805, Press = 3.87280201997991
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.0342   -8050.0342   -8123.6832   -8123.6832     285.0291     285.0291    23630.232    23630.232   -2644.8395   -2644.8395 
   22000   -8052.7458   -8052.7458   -8125.6569   -8125.6569    282.17345    282.17345    23616.446    23616.446   -1398.4104   -1398.4104 
Loop time of 42.4823 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.034 ns/day, 11.801 hours/ns, 23.539 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    | 41.899     | 41.899     | 41.899     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1292     | 0.1292     | 0.1292     |   0.0 |  0.30
Output  | 0.00015629 | 0.00015629 | 0.00015629 |   0.0 |  0.00
Modify  | 0.38746    | 0.38746    | 0.38746    |   0.0 |  0.91
Other   |            | 0.06687    |            |       |  0.16

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:        137116.0 ave      137116 max      137116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137116
Ave neighs/atom = 68.558000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.736785315868, Press = 5.29441050323006
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.7458   -8052.7458   -8125.6569   -8125.6569    282.17345    282.17345    23616.446    23616.446   -1398.4104   -1398.4104 
   23000   -8050.0746   -8050.0746   -8124.2071   -8124.2071    286.90052    286.90052    23595.367    23595.367    866.29891    866.29891 
Loop time of 43.3757 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.992 ns/day, 12.049 hours/ns, 23.054 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    | 42.773     | 42.773     | 42.773     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1322     | 0.1322     | 0.1322     |   0.0 |  0.30
Output  | 0.00015351 | 0.00015351 | 0.00015351 |   0.0 |  0.00
Modify  | 0.40269    | 0.40269    | 0.40269    |   0.0 |  0.93
Other   |            | 0.06712    |            |       |  0.15

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:        137003.0 ave      137003 max      137003 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137003
Ave neighs/atom = 68.501500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.568194088331, Press = 5.86268849570263
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.0746   -8050.0746   -8124.2071   -8124.2071    286.90052    286.90052    23595.367    23595.367    866.29891    866.29891 
   24000   -8053.6492   -8053.6492   -8130.9404   -8130.9404    299.12489    299.12489     23586.08     23586.08    1589.9071    1589.9071 
Loop time of 43.2357 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.010 hours/ns, 23.129 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    | 42.638     | 42.638     | 42.638     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13199    | 0.13199    | 0.13199    |   0.0 |  0.31
Output  | 0.00015506 | 0.00015506 | 0.00015506 |   0.0 |  0.00
Modify  | 0.39866    | 0.39866    | 0.39866    |   0.0 |  0.92
Other   |            | 0.0668     |            |       |  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:        137128.0 ave      137128 max      137128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137128
Ave neighs/atom = 68.564000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.529066214026, Press = 3.21142671894181
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.6492   -8053.6492   -8130.9404   -8130.9404    299.12489    299.12489     23586.08     23586.08    1589.9071    1589.9071 
   25000   -8048.6814   -8048.6814   -8124.3719   -8124.3719    292.92999    292.92999    23594.764    23594.764    955.80906    955.80906 
Loop time of 41.8888 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.063 ns/day, 11.636 hours/ns, 23.873 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    | 41.309     | 41.309     | 41.309     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12912    | 0.12912    | 0.12912    |   0.0 |  0.31
Output  | 0.00019237 | 0.00019237 | 0.00019237 |   0.0 |  0.00
Modify  | 0.38394    | 0.38394    | 0.38394    |   0.0 |  0.92
Other   |            | 0.06636    |            |       |  0.16

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:        136976.0 ave      136976 max      136976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136976
Ave neighs/atom = 68.488000
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 = 292.48879569508, Press = 2.47294343321864
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.6814   -8048.6814   -8124.3719   -8124.3719    292.92999    292.92999    23594.764    23594.764    955.80906    955.80906 
   26000   -8050.3496   -8050.3496   -8127.7293   -8127.7293    299.46752    299.46752    23600.464    23600.464    283.24739    283.24739 
Loop time of 43.1956 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.000 ns/day, 11.999 hours/ns, 23.150 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    | 42.599     | 42.599     | 42.599     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1312     | 0.1312     | 0.1312     |   0.0 |  0.30
Output  | 0.00018922 | 0.00018922 | 0.00018922 |   0.0 |  0.00
Modify  | 0.39884    | 0.39884    | 0.39884    |   0.0 |  0.92
Other   |            | 0.06638    |            |       |  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:        137027.0 ave      137027 max      137027 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137027
Ave neighs/atom = 68.513500
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 = 292.50016894231, Press = 1.16897602159527
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.3496   -8050.3496   -8127.7293   -8127.7293    299.46752    299.46752    23600.464    23600.464    283.24739    283.24739 
   27000   -8051.4021   -8051.4021   -8125.7505   -8125.7505    287.73597    287.73597    23608.522    23608.522   -320.07597   -320.07597 
Loop time of 41.3226 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.091 ns/day, 11.478 hours/ns, 24.200 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    | 40.754     | 40.754     | 40.754     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12629    | 0.12629    | 0.12629    |   0.0 |  0.31
Output  | 0.00015566 | 0.00015566 | 0.00015566 |   0.0 |  0.00
Modify  | 0.37516    | 0.37516    | 0.37516    |   0.0 |  0.91
Other   |            | 0.06674    |            |       |  0.16

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:        136986.0 ave      136986 max      136986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136986
Ave neighs/atom = 68.493000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.50522143871, Press = 1.97215225616955
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.4021   -8051.4021   -8125.7505   -8125.7505    287.73597    287.73597    23608.522    23608.522   -320.07597   -320.07597 
   28000   -8046.4138   -8046.4138   -8120.1677   -8120.1677    285.43508    285.43508    23615.041    23615.041   -1091.3016   -1091.3016 
Loop time of 42.191 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.048 ns/day, 11.720 hours/ns, 23.702 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    | 41.612     | 41.612     | 41.612     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12859    | 0.12859    | 0.12859    |   0.0 |  0.30
Output  | 0.00015458 | 0.00015458 | 0.00015458 |   0.0 |  0.00
Modify  | 0.38248    | 0.38248    | 0.38248    |   0.0 |  0.91
Other   |            | 0.06726    |            |       |  0.16

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:        136967.0 ave      136967 max      136967 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136967
Ave neighs/atom = 68.483500
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 = 292.622560272242, Press = 1.13936600074
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8046.4138   -8046.4138   -8120.1677   -8120.1677    285.43508    285.43508    23615.041    23615.041   -1091.3016   -1091.3016 
   29000   -8050.6402   -8050.6402   -8126.4494   -8126.4494    293.38944    293.38944    23624.898    23624.898   -2095.3161   -2095.3161 
Loop time of 42.8267 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.017 ns/day, 11.896 hours/ns, 23.350 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    | 42.235     | 42.235     | 42.235     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13097    | 0.13097    | 0.13097    |   0.0 |  0.31
Output  | 0.00018997 | 0.00018997 | 0.00018997 |   0.0 |  0.00
Modify  | 0.39387    | 0.39387    | 0.39387    |   0.0 |  0.92
Other   |            | 0.06688    |            |       |  0.16

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:        137223.0 ave      137223 max      137223 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137223
Ave neighs/atom = 68.611500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.71503044289, Press = 2.5478312190155
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.6402   -8050.6402   -8126.4494   -8126.4494    293.38944    293.38944    23624.898    23624.898   -2095.3161   -2095.3161 
   30000   -8049.8416   -8049.8416   -8123.0212   -8123.0212    283.21248    283.21248    23609.271    23609.271   -492.30574   -492.30574 
Loop time of 43.4104 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.990 ns/day, 12.058 hours/ns, 23.036 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    | 42.809     | 42.809     | 42.809     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13163    | 0.13163    | 0.13163    |   0.0 |  0.30
Output  | 0.0001549  | 0.0001549  | 0.0001549  |   0.0 |  0.00
Modify  | 0.40227    | 0.40227    | 0.40227    |   0.0 |  0.93
Other   |            | 0.0677     |            |       |  0.16

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:        136970.0 ave      136970 max      136970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136970
Ave neighs/atom = 68.485000
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 = 292.835733154824, Press = 3.88212244911655
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.8416   -8049.8416   -8123.0212   -8123.0212    283.21248    283.21248    23609.271    23609.271   -492.30574   -492.30574 
   31000   -8048.8058   -8048.8058   -8125.4312   -8125.4312    296.54825    296.54825    23583.651    23583.651    1753.5936    1753.5936 
Loop time of 42.4797 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.034 ns/day, 11.800 hours/ns, 23.541 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    | 41.898     | 41.898     | 41.898     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12819    | 0.12819    | 0.12819    |   0.0 |  0.30
Output  | 0.00015577 | 0.00015577 | 0.00015577 |   0.0 |  0.00
Modify  | 0.38716    | 0.38716    | 0.38716    |   0.0 |  0.91
Other   |            | 0.06618    |            |       |  0.16

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:        137230.0 ave      137230 max      137230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137230
Ave neighs/atom = 68.615000
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 = 292.82448253643, Press = 4.7642679339642
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.8058   -8048.8058   -8125.4312   -8125.4312    296.54825    296.54825    23583.651    23583.651    1753.5936    1753.5936 
   32000   -8053.1774   -8053.1774   -8125.7309   -8125.7309    280.78943    280.78943    23561.983    23561.983    3807.8463    3807.8463 
Loop time of 41.8987 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.062 ns/day, 11.639 hours/ns, 23.867 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    | 41.328     | 41.328     | 41.328     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12728    | 0.12728    | 0.12728    |   0.0 |  0.30
Output  | 0.00015478 | 0.00015478 | 0.00015478 |   0.0 |  0.00
Modify  | 0.37766    | 0.37766    | 0.37766    |   0.0 |  0.90
Other   |            | 0.06591    |            |       |  0.16

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:        137140.0 ave      137140 max      137140 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137140
Ave neighs/atom = 68.570000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.75386539819, Press = 2.78502233783379
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.1774   -8053.1774   -8125.7309   -8125.7309    280.78943    280.78943    23561.983    23561.983    3807.8463    3807.8463 
   33000    -8049.673    -8049.673   -8125.3986   -8125.3986    293.06556    293.06556    23592.792    23592.792    968.95835    968.95835 
Loop time of 41.6058 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.077 ns/day, 11.557 hours/ns, 24.035 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    | 41.037     | 41.037     | 41.037     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12695    | 0.12695    | 0.12695    |   0.0 |  0.31
Output  | 0.00015966 | 0.00015966 | 0.00015966 |   0.0 |  0.00
Modify  | 0.37632    | 0.37632    | 0.37632    |   0.0 |  0.90
Other   |            | 0.06575    |            |       |  0.16

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:        137110.0 ave      137110 max      137110 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137110
Ave neighs/atom = 68.555000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.694482618604, Press = 1.08095000757127
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8049.673    -8049.673   -8125.3986   -8125.3986    293.06556    293.06556    23592.792    23592.792    968.95835    968.95835 
   34000   -8052.4469   -8052.4469   -8124.8764   -8124.8764    280.30987    280.30987    23597.798    23597.798    494.99183    494.99183 
Loop time of 42.7776 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.020 ns/day, 11.883 hours/ns, 23.377 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    | 42.188     | 42.188     | 42.188     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12988    | 0.12988    | 0.12988    |   0.0 |  0.30
Output  | 0.00015605 | 0.00015605 | 0.00015605 |   0.0 |  0.00
Modify  | 0.39355    | 0.39355    | 0.39355    |   0.0 |  0.92
Other   |            | 0.06571    |            |       |  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:        137112.0 ave      137112 max      137112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137112
Ave neighs/atom = 68.556000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.686499633481, Press = 0.804690147482236
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.4469   -8052.4469   -8124.8764   -8124.8764    280.30987    280.30987    23597.798    23597.798    494.99183    494.99183 
   35000   -8049.7199   -8049.7199   -8123.0044   -8123.0044    283.61859    283.61859    23610.187    23610.187   -528.35377   -528.35377 
Loop time of 43.1709 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.992 hours/ns, 23.164 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.576     | 42.576     | 42.576     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13147    | 0.13147    | 0.13147    |   0.0 |  0.30
Output  | 0.00014683 | 0.00014683 | 0.00014683 |   0.0 |  0.00
Modify  | 0.39577    | 0.39577    | 0.39577    |   0.0 |  0.92
Other   |            | 0.06698    |            |       |  0.16

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:        137085.0 ave      137085 max      137085 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137085
Ave neighs/atom = 68.542500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.675532222793, Press = 0.378562411204174
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.7199   -8049.7199   -8123.0044   -8123.0044    283.61859    283.61859    23610.187    23610.187   -528.35377   -528.35377 
   36000   -8052.7755   -8052.7755   -8126.2596   -8126.2596    284.39098    284.39098    23625.607    23625.607   -1851.3478   -1851.3478 
Loop time of 41.6507 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.074 ns/day, 11.570 hours/ns, 24.009 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    | 41.081     | 41.081     | 41.081     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12681    | 0.12681    | 0.12681    |   0.0 |  0.30
Output  | 0.00015542 | 0.00015542 | 0.00015542 |   0.0 |  0.00
Modify  | 0.3766     | 0.3766     | 0.3766     |   0.0 |  0.90
Other   |            | 0.06633    |            |       |  0.16

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:        137092.0 ave      137092 max      137092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137092
Ave neighs/atom = 68.546000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.627644993281, Press = 0.674719823667742
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.7755   -8052.7755   -8126.2596   -8126.2596    284.39098    284.39098    23625.607    23625.607   -1851.3478   -1851.3478 
   37000   -8049.6814   -8049.6814   -8126.5725   -8126.5725    297.57657    297.57657    23634.641    23634.641    -2773.424    -2773.424 
Loop time of 43.2017 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.000 ns/day, 12.000 hours/ns, 23.147 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    | 42.602     | 42.602     | 42.602     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13223    | 0.13223    | 0.13223    |   0.0 |  0.31
Output  | 0.00015326 | 0.00015326 | 0.00015326 |   0.0 |  0.00
Modify  | 0.4003     | 0.4003     | 0.4003     |   0.0 |  0.93
Other   |            | 0.06735    |            |       |  0.16

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:        136981.0 ave      136981 max      136981 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136981
Ave neighs/atom = 68.490500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.602128264974, Press = 2.41761584817997
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.6814   -8049.6814   -8126.5725   -8126.5725    297.57657    297.57657    23634.641    23634.641    -2773.424    -2773.424 
   38000   -8050.6667   -8050.6667   -8125.2355   -8125.2355    288.58876    288.58876    23608.959    23608.959   -293.87587   -293.87587 
Loop time of 42.5155 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.032 ns/day, 11.810 hours/ns, 23.521 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.926     | 41.926     | 41.926     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13061    | 0.13061    | 0.13061    |   0.0 |  0.31
Output  | 0.00019229 | 0.00019229 | 0.00019229 |   0.0 |  0.00
Modify  | 0.39163    | 0.39163    | 0.39163    |   0.0 |  0.92
Other   |            | 0.0667     |            |       |  0.16

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:        137012.0 ave      137012 max      137012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137012
Ave neighs/atom = 68.506000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.53263447661, Press = 3.36338838982708
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.6667   -8050.6667   -8125.2355   -8125.2355    288.58876    288.58876    23608.959    23608.959   -293.87587   -293.87587 
   39000   -8053.0345   -8053.0345   -8126.9943   -8126.9943    286.23214    286.23214    23586.187    23586.187    1538.3352    1538.3352 
Loop time of 41.8383 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.065 ns/day, 11.622 hours/ns, 23.902 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    | 41.262     | 41.262     | 41.262     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12749    | 0.12749    | 0.12749    |   0.0 |  0.30
Output  | 0.00015432 | 0.00015432 | 0.00015432 |   0.0 |  0.00
Modify  | 0.38252    | 0.38252    | 0.38252    |   0.0 |  0.91
Other   |            | 0.06613    |            |       |  0.16

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:        136980.0 ave      136980 max      136980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136980
Ave neighs/atom = 68.490000
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 = 292.528208309384, Press = 2.46107558436732
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.0345   -8053.0345   -8126.9943   -8126.9943    286.23214    286.23214    23586.187    23586.187    1538.3352    1538.3352 
   40000   -8051.9208   -8051.9208   -8125.6783   -8125.6783    285.44913    285.44913    23586.691    23586.691    1511.7757    1511.7757 
Loop time of 41.8797 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.063 ns/day, 11.633 hours/ns, 23.878 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.31      | 41.31      | 41.31      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12611    | 0.12611    | 0.12611    |   0.0 |  0.30
Output  | 0.00015387 | 0.00015387 | 0.00015387 |   0.0 |  0.00
Modify  | 0.37716    | 0.37716    | 0.37716    |   0.0 |  0.90
Other   |            | 0.06594    |            |       |  0.16

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:        137014.0 ave      137014 max      137014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137014
Ave neighs/atom = 68.507000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.534128590794, Press = 1.14200375807278
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.9208   -8051.9208   -8125.6783   -8125.6783    285.44913    285.44913    23586.691    23586.691    1511.7757    1511.7757 
   41000   -8049.5388   -8049.5388   -8124.1767   -8124.1767    288.85652    288.85652    23597.278    23597.278    675.77181    675.77181 
Loop time of 42.4979 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.033 ns/day, 11.805 hours/ns, 23.531 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    | 41.912     | 41.912     | 41.912     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12907    | 0.12907    | 0.12907    |   0.0 |  0.30
Output  | 0.00015375 | 0.00015375 | 0.00015375 |   0.0 |  0.00
Modify  | 0.38935    | 0.38935    | 0.38935    |   0.0 |  0.92
Other   |            | 0.06706    |            |       |  0.16

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:        137094.0 ave      137094 max      137094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137094
Ave neighs/atom = 68.547000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.596195041526, Press = 0.622630197609128
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.5388   -8049.5388   -8124.1767   -8124.1767    288.85652    288.85652    23597.278    23597.278    675.77181    675.77181 
   42000   -8050.4792   -8050.4792   -8126.1819   -8126.1819    292.97709    292.97709    23604.854    23604.854   -83.165407   -83.165407 
Loop time of 42.1258 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.051 ns/day, 11.702 hours/ns, 23.738 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.547     | 41.547     | 41.547     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12811    | 0.12811    | 0.12811    |   0.0 |  0.30
Output  | 0.0001923  | 0.0001923  | 0.0001923  |   0.0 |  0.00
Modify  | 0.3841     | 0.3841     | 0.3841     |   0.0 |  0.91
Other   |            | 0.0661     |            |       |  0.16

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:        137092.0 ave      137092 max      137092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137092
Ave neighs/atom = 68.546000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.542406229286, Press = 0.642329436358719
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.4792   -8050.4792   -8126.1819   -8126.1819    292.97709    292.97709    23604.854    23604.854   -83.165407   -83.165407 
   43000   -8052.3354   -8052.3354   -8127.6659   -8127.6659      291.537      291.537    23604.557    23604.557   -44.169871   -44.169871 
Loop time of 41.8846 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.063 ns/day, 11.635 hours/ns, 23.875 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    | 41.31      | 41.31      | 41.31      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12802    | 0.12802    | 0.12802    |   0.0 |  0.31
Output  | 0.00018894 | 0.00018894 | 0.00018894 |   0.0 |  0.00
Modify  | 0.38011    | 0.38011    | 0.38011    |   0.0 |  0.91
Other   |            | 0.06673    |            |       |  0.16

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:        137058.0 ave      137058 max      137058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137058
Ave neighs/atom = 68.529000
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 = 292.53163570402, Press = 0.819873003519641
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.3354   -8052.3354   -8127.6659   -8127.6659      291.537      291.537    23604.557    23604.557   -44.169871   -44.169871 
   44000   -8049.3515   -8049.3515   -8123.7977   -8123.7977    288.11447    288.11447    23611.676    23611.676    -781.5332    -781.5332 
Loop time of 40.1097 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.154 ns/day, 11.142 hours/ns, 24.932 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.564     | 39.564     | 39.564     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12242    | 0.12242    | 0.12242    |   0.0 |  0.31
Output  | 0.00015585 | 0.00015585 | 0.00015585 |   0.0 |  0.00
Modify  | 0.35752    | 0.35752    | 0.35752    |   0.0 |  0.89
Other   |            | 0.06561    |            |       |  0.16

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:        137015.0 ave      137015 max      137015 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137015
Ave neighs/atom = 68.507500
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 = 292.507902226544, Press = 0.63114471205351
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.3515   -8049.3515   -8123.7977   -8123.7977    288.11447    288.11447    23611.676    23611.676    -781.5332    -781.5332 
   45000   -8050.5661   -8050.5661   -8127.6901   -8127.6901    298.47787    298.47787    23605.037    23605.037   -39.240046   -39.240046 
Loop time of 42.7173 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.023 ns/day, 11.866 hours/ns, 23.410 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    | 42.128     | 42.128     | 42.128     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13044    | 0.13044    | 0.13044    |   0.0 |  0.31
Output  | 0.00015744 | 0.00015744 | 0.00015744 |   0.0 |  0.00
Modify  | 0.39109    | 0.39109    | 0.39109    |   0.0 |  0.92
Other   |            | 0.06732    |            |       |  0.16

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:        137003.0 ave      137003 max      137003 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137003
Ave neighs/atom = 68.501500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.564876510124, Press = 0.860439438378399
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.5661   -8050.5661   -8127.6901   -8127.6901    298.47787    298.47787    23605.037    23605.037   -39.240046   -39.240046 
   46000   -8050.0038   -8050.0038   -8125.8575   -8125.8575    293.56189    293.56189    23603.823    23603.823    18.902869    18.902869 
Loop time of 42.3022 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.042 ns/day, 11.751 hours/ns, 23.639 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    | 41.72      | 41.72      | 41.72      |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12837    | 0.12837    | 0.12837    |   0.0 |  0.30
Output  | 0.00015637 | 0.00015637 | 0.00015637 |   0.0 |  0.00
Modify  | 0.38637    | 0.38637    | 0.38637    |   0.0 |  0.91
Other   |            | 0.06741    |            |       |  0.16

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:        136973.0 ave      136973 max      136973 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136973
Ave neighs/atom = 68.486500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.569928857652, Press = 0.686946785491306
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.0038   -8050.0038   -8125.8575   -8125.8575    293.56189    293.56189    23603.823    23603.823    18.902869    18.902869 
   47000    -8052.912    -8052.912   -8125.6445   -8125.6445     281.4824     281.4824    23602.773    23602.773   -71.484376   -71.484376 
Loop time of 41.3964 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.499 hours/ns, 24.157 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    | 40.829     | 40.829     | 40.829     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12707    | 0.12707    | 0.12707    |   0.0 |  0.31
Output  | 0.00014811 | 0.00014811 | 0.00014811 |   0.0 |  0.00
Modify  | 0.37463    | 0.37463    | 0.37463    |   0.0 |  0.90
Other   |            | 0.06586    |            |       |  0.16

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:        137032.0 ave      137032 max      137032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137032
Ave neighs/atom = 68.516000
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 = 292.561984511178, Press = 0.642401542928863
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8052.912    -8052.912   -8125.6445   -8125.6445     281.4824     281.4824    23602.773    23602.773   -71.484376   -71.484376 
   48000   -8050.0399   -8050.0399   -8123.8544   -8123.8544    285.66954    285.66954    23601.609    23601.609    207.98298    207.98298 
Loop time of 40.6511 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.125 ns/day, 11.292 hours/ns, 24.600 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.096     | 40.096     | 40.096     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12423    | 0.12423    | 0.12423    |   0.0 |  0.31
Output  | 0.00015728 | 0.00015728 | 0.00015728 |   0.0 |  0.00
Modify  | 0.36416    | 0.36416    | 0.36416    |   0.0 |  0.90
Other   |            | 0.06659    |            |       |  0.16

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:        137066.0 ave      137066 max      137066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137066
Ave neighs/atom = 68.533000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.547056514615, Press = 0.552870624486343
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.0399   -8050.0399   -8123.8544   -8123.8544    285.66954    285.66954    23601.609    23601.609    207.98298    207.98298 
   49000    -8051.816    -8051.816   -8125.4436   -8125.4436    284.94631    284.94631    23599.934    23599.934    278.62608    278.62608 
Loop time of 42.5234 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.032 ns/day, 11.812 hours/ns, 23.516 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    | 41.942     | 41.942     | 41.942     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12984    | 0.12984    | 0.12984    |   0.0 |  0.31
Output  | 0.00023583 | 0.00023583 | 0.00023583 |   0.0 |  0.00
Modify  | 0.3847     | 0.3847     | 0.3847     |   0.0 |  0.90
Other   |            | 0.06677    |            |       |  0.16

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:        137122.0 ave      137122 max      137122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137122
Ave neighs/atom = 68.561000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.49455155842, Press = 0.538313046711254
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8051.816    -8051.816   -8125.4436   -8125.4436    284.94631    284.94631    23599.934    23599.934    278.62608    278.62608 
   50000   -8052.4574   -8052.4574   -8128.9494   -8128.9494    296.03194    296.03194    23600.441    23600.441     232.6746     232.6746 
Loop time of 42.3583 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.040 ns/day, 11.766 hours/ns, 23.608 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.78      | 41.78      | 41.78      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12878    | 0.12878    | 0.12878    |   0.0 |  0.30
Output  | 0.00015475 | 0.00015475 | 0.00015475 |   0.0 |  0.00
Modify  | 0.3828     | 0.3828     | 0.3828     |   0.0 |  0.90
Other   |            | 0.06643    |            |       |  0.16

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:        137090.0 ave      137090 max      137090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137090
Ave neighs/atom = 68.545000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.502786632565, Press = 0.13560917081306
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.4574   -8052.4574   -8128.9494   -8128.9494    296.03194    296.03194    23600.441    23600.441     232.6746     232.6746 
   51000   -8050.5571   -8050.5571   -8127.6594   -8127.6594    298.39359    298.39359    23610.918    23610.918   -623.34242   -623.34242 
Loop time of 41.5609 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.079 ns/day, 11.545 hours/ns, 24.061 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    | 40.991     | 40.991     | 40.991     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12676    | 0.12676    | 0.12676    |   0.0 |  0.30
Output  | 0.0001531  | 0.0001531  | 0.0001531  |   0.0 |  0.00
Modify  | 0.37735    | 0.37735    | 0.37735    |   0.0 |  0.91
Other   |            | 0.06613    |            |       |  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:        136942.0 ave      136942 max      136942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136942
Ave neighs/atom = 68.471000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.504625219921, Press = 0.0343343169198041
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.5571   -8050.5571   -8127.6594   -8127.6594    298.39359    298.39359    23610.918    23610.918   -623.34242   -623.34242 
   52000   -8051.1708   -8051.1708   -8126.5704   -8126.5704    291.80459    291.80459    23620.834    23620.834   -1517.9662   -1517.9662 
Loop time of 40.8721 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.114 ns/day, 11.353 hours/ns, 24.467 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    | 40.319     | 40.319     | 40.319     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12454    | 0.12454    | 0.12454    |   0.0 |  0.30
Output  | 0.00015268 | 0.00015268 | 0.00015268 |   0.0 |  0.00
Modify  | 0.36279    | 0.36279    | 0.36279    |   0.0 |  0.89
Other   |            | 0.0653     |            |       |  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:        137011.0 ave      137011 max      137011 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137011
Ave neighs/atom = 68.505500
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 = 292.562555035616, Press = -0.0145412269045749
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.1708   -8051.1708   -8126.5704   -8126.5704    291.80459    291.80459    23620.834    23620.834   -1517.9662   -1517.9662 
   53000   -8047.4472   -8047.4472   -8124.2874   -8124.2874    297.37926    297.37926    23629.796    23629.796   -2210.6445   -2210.6445 
Loop time of 41.9274 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.061 ns/day, 11.646 hours/ns, 23.851 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    | 41.352     | 41.352     | 41.352     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1276     | 0.1276     | 0.1276     |   0.0 |  0.30
Output  | 0.00015484 | 0.00015484 | 0.00015484 |   0.0 |  0.00
Modify  | 0.38163    | 0.38163    | 0.38163    |   0.0 |  0.91
Other   |            | 0.06628    |            |       |  0.16

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:        136950.0 ave      136950 max      136950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136950
Ave neighs/atom = 68.475000
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 = 292.613208554259, Press = 0.759430013771692
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.4472   -8047.4472   -8124.2874   -8124.2874    297.37926    297.37926    23629.796    23629.796   -2210.6445   -2210.6445 
   54000   -8050.3349   -8050.3349   -8123.7028   -8123.7028     283.9416     283.9416    23616.404    23616.404   -1123.1333   -1123.1333 
Loop time of 40.2102 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.149 ns/day, 11.169 hours/ns, 24.869 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.666     | 39.666     | 39.666     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12149    | 0.12149    | 0.12149    |   0.0 |  0.30
Output  | 0.00015492 | 0.00015492 | 0.00015492 |   0.0 |  0.00
Modify  | 0.35727    | 0.35727    | 0.35727    |   0.0 |  0.89
Other   |            | 0.06548    |            |       |  0.16

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:        136992.0 ave      136992 max      136992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136992
Ave neighs/atom = 68.496000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.600505597986, Press = 1.6696710651872
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.3349   -8050.3349   -8123.7028   -8123.7028     283.9416     283.9416    23616.404    23616.404   -1123.1333   -1123.1333 
   55000   -8050.2468   -8050.2468   -8124.1492   -8124.1492    286.00985    286.00985    23588.911    23588.911    1273.7155    1273.7155 
Loop time of 41.5918 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.077 ns/day, 11.553 hours/ns, 24.043 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    | 41.025     | 41.025     | 41.025     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12598    | 0.12598    | 0.12598    |   0.0 |  0.30
Output  | 0.0001522  | 0.0001522  | 0.0001522  |   0.0 |  0.00
Modify  | 0.37547    | 0.37547    | 0.37547    |   0.0 |  0.90
Other   |            | 0.06552    |            |       |  0.16

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:        137083.0 ave      137083 max      137083 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137083
Ave neighs/atom = 68.541500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.59972151695, Press = 1.70888558204751
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.2468   -8050.2468   -8124.1492   -8124.1492    286.00985    286.00985    23588.911    23588.911    1273.7155    1273.7155 
   56000   -8050.4925   -8050.4925   -8123.5378   -8123.5378    282.69278    282.69278    23584.982    23584.982    1767.6508    1767.6508 
Loop time of 41.3321 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.090 ns/day, 11.481 hours/ns, 24.194 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    | 40.769     | 40.769     | 40.769     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12452    | 0.12452    | 0.12452    |   0.0 |  0.30
Output  | 0.0001971  | 0.0001971  | 0.0001971  |   0.0 |  0.00
Modify  | 0.37233    | 0.37233    | 0.37233    |   0.0 |  0.90
Other   |            | 0.06557    |            |       |  0.16

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:        137090.0 ave      137090 max      137090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137090
Ave neighs/atom = 68.545000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.605164018996, Press = 0.657532600227672
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.4925   -8050.4925   -8123.5378   -8123.5378    282.69278    282.69278    23584.982    23584.982    1767.6508    1767.6508 
   57000   -8052.0861   -8052.0861   -8125.5377   -8125.5377    284.26514    284.26514    23594.778    23594.778    800.83107    800.83107 
Loop time of 41.7624 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.069 ns/day, 11.601 hours/ns, 23.945 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    | 41.192     | 41.192     | 41.192     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12745    | 0.12745    | 0.12745    |   0.0 |  0.31
Output  | 0.00022596 | 0.00022596 | 0.00022596 |   0.0 |  0.00
Modify  | 0.37632    | 0.37632    | 0.37632    |   0.0 |  0.90
Other   |            | 0.06667    |            |       |  0.16

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:        137184.0 ave      137184 max      137184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137184
Ave neighs/atom = 68.592000
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 = 292.627050273464, Press = 0.185141528310541
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.0861   -8052.0861   -8125.5377   -8125.5377    284.26514    284.26514    23594.778    23594.778    800.83107    800.83107 
   58000   -8049.0347   -8049.0347   -8126.8752   -8126.8752    301.25089    301.25089    23603.592    23603.592    118.44276    118.44276 
Loop time of 41.1529 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.099 ns/day, 11.431 hours/ns, 24.300 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    | 40.591     | 40.591     | 40.591     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12504    | 0.12504    | 0.12504    |   0.0 |  0.30
Output  | 0.00015686 | 0.00015686 | 0.00015686 |   0.0 |  0.00
Modify  | 0.37043    | 0.37043    | 0.37043    |   0.0 |  0.90
Other   |            | 0.06601    |            |       |  0.16

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:        137070.0 ave      137070 max      137070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137070
Ave neighs/atom = 68.535000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.63201089593, Press = 0.0271549322288516
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.0347   -8049.0347   -8126.8752   -8126.8752    301.25089    301.25089    23603.592    23603.592    118.44276    118.44276 
   59000   -8050.3742   -8050.3742   -8126.4558   -8126.4558    294.44355    294.44355    23610.861    23610.861   -662.89744   -662.89744 
Loop time of 41.3961 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.499 hours/ns, 24.157 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.83      | 40.83      | 40.83      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12663    | 0.12663    | 0.12663    |   0.0 |  0.31
Output  | 0.00020006 | 0.00020006 | 0.00020006 |   0.0 |  0.00
Modify  | 0.37386    | 0.37386    | 0.37386    |   0.0 |  0.90
Other   |            | 0.06548    |            |       |  0.16

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:        137035.0 ave      137035 max      137035 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137035
Ave neighs/atom = 68.517500
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 = 292.641166427239, Press = -0.131575308774183
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.3742   -8050.3742   -8126.4558   -8126.4558    294.44355    294.44355    23610.861    23610.861   -662.89744   -662.89744 
   60000   -8051.3934   -8051.3934   -8127.1993   -8127.1993    293.37655    293.37655    23621.707    23621.707   -1698.0507   -1698.0507 
Loop time of 40.5664 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.130 ns/day, 11.268 hours/ns, 24.651 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.012     | 40.012     | 40.012     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12247    | 0.12247    | 0.12247    |   0.0 |  0.30
Output  | 0.00015462 | 0.00015462 | 0.00015462 |   0.0 |  0.00
Modify  | 0.36412    | 0.36412    | 0.36412    |   0.0 |  0.90
Other   |            | 0.06731    |            |       |  0.17

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:        136950.0 ave      136950 max      136950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136950
Ave neighs/atom = 68.475000
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 = 292.608161706952, Press = 0.110434304825871
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.3934   -8051.3934   -8127.1993   -8127.1993    293.37655    293.37655    23621.707    23621.707   -1698.0507   -1698.0507 
   61000   -8051.9738   -8051.9738   -8127.3918   -8127.3918    291.87563    291.87563    23620.651    23620.651   -1602.8361   -1602.8361 
Loop time of 41.3468 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.090 ns/day, 11.485 hours/ns, 24.186 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    | 40.779     | 40.779     | 40.779     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12697    | 0.12697    | 0.12697    |   0.0 |  0.31
Output  | 0.00015311 | 0.00015311 | 0.00015311 |   0.0 |  0.00
Modify  | 0.37407    | 0.37407    | 0.37407    |   0.0 |  0.90
Other   |            | 0.06617    |            |       |  0.16

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:        136941.0 ave      136941 max      136941 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136941
Ave neighs/atom = 68.470500
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 = 292.601363357728, Press = 0.846704484249367
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.9738   -8051.9738   -8127.3918   -8127.3918    291.87563    291.87563    23620.651    23620.651   -1602.8361   -1602.8361 
   62000   -8048.4827   -8048.4827   -8124.1418   -8124.1418    292.80857    292.80857    23604.685    23604.685    111.39179    111.39179 
Loop time of 41.0999 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.102 ns/day, 11.417 hours/ns, 24.331 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    | 40.537     | 40.537     | 40.537     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12604    | 0.12604    | 0.12604    |   0.0 |  0.31
Output  | 0.00015415 | 0.00015415 | 0.00015415 |   0.0 |  0.00
Modify  | 0.37077    | 0.37077    | 0.37077    |   0.0 |  0.90
Other   |            | 0.06602    |            |       |  0.16

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:        136922.0 ave      136922 max      136922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136922
Ave neighs/atom = 68.461000
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 = 292.569142418689, Press = 1.41819741919431
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.4827   -8048.4827   -8124.1418   -8124.1418    292.80857    292.80857    23604.685    23604.685    111.39179    111.39179 
   63000   -8049.2246   -8049.2246   -8126.2758   -8126.2758    298.19615    298.19615    23574.283    23574.283    2670.4738    2670.4738 
Loop time of 42.2023 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.047 ns/day, 11.723 hours/ns, 23.695 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.621     | 41.621     | 41.621     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12831    | 0.12831    | 0.12831    |   0.0 |  0.30
Output  | 0.00015653 | 0.00015653 | 0.00015653 |   0.0 |  0.00
Modify  | 0.38617    | 0.38617    | 0.38617    |   0.0 |  0.92
Other   |            | 0.06713    |            |       |  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:        137122.0 ave      137122 max      137122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137122
Ave neighs/atom = 68.561000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.577036550031, Press = 1.42171439634257
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.2246   -8049.2246   -8126.2758   -8126.2758    298.19615    298.19615    23574.283    23574.283    2670.4738    2670.4738 
   64000   -8050.5849   -8050.5849   -8124.6882   -8124.6882    286.78727    286.78727    23574.625    23574.625    2748.6232    2748.6232 
Loop time of 41.063 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.104 ns/day, 11.406 hours/ns, 24.353 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.501     | 40.501     | 40.501     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12599    | 0.12599    | 0.12599    |   0.0 |  0.31
Output  | 0.00024121 | 0.00024121 | 0.00024121 |   0.0 |  0.00
Modify  | 0.3697     | 0.3697     | 0.3697     |   0.0 |  0.90
Other   |            | 0.06605    |            |       |  0.16

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:        137112.0 ave      137112 max      137112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137112
Ave neighs/atom = 68.556000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.635922491706, Press = 0.346137484456787
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.5849   -8050.5849   -8124.6882   -8124.6882    286.78727    286.78727    23574.625    23574.625    2748.6232    2748.6232 
   65000   -8047.1608   -8047.1608   -8124.1857   -8124.1857    298.09422    298.09422    23593.842    23593.842     936.3123     936.3123 
Loop time of 40.8388 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.116 ns/day, 11.344 hours/ns, 24.487 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.282     | 40.282     | 40.282     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12448    | 0.12448    | 0.12448    |   0.0 |  0.30
Output  | 0.00015428 | 0.00015428 | 0.00015428 |   0.0 |  0.00
Modify  | 0.36586    | 0.36586    | 0.36586    |   0.0 |  0.90
Other   |            | 0.06586    |            |       |  0.16

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:        137192.0 ave      137192 max      137192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137192
Ave neighs/atom = 68.596000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.668772540039, Press = 0.0466646107552051
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.1608   -8047.1608   -8124.1857   -8124.1857    298.09422    298.09422    23593.842    23593.842     936.3123     936.3123 
   66000   -8050.6096   -8050.6096   -8125.5686   -8125.5686     290.0993     290.0993     23605.59     23605.59   -314.55372   -314.55372 
Loop time of 40.3459 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.141 ns/day, 11.207 hours/ns, 24.786 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.8       | 39.8       | 39.8       |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12218    | 0.12218    | 0.12218    |   0.0 |  0.30
Output  | 0.00015497 | 0.00015497 | 0.00015497 |   0.0 |  0.00
Modify  | 0.35791    | 0.35791    | 0.35791    |   0.0 |  0.89
Other   |            | 0.06604    |            |       |  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:        137095.0 ave      137095 max      137095 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137095
Ave neighs/atom = 68.547500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.685127629058, Press = -0.261034939864727
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.6096   -8050.6096   -8125.5686   -8125.5686     290.0993     290.0993     23605.59     23605.59   -314.55372   -314.55372 
   67000   -8052.0834   -8052.0834   -8126.6169   -8126.6169    288.45252    288.45252    23613.915    23613.915   -902.23731   -902.23731 
Loop time of 41.3296 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.091 ns/day, 11.480 hours/ns, 24.196 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.762     | 40.762     | 40.762     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12694    | 0.12694    | 0.12694    |   0.0 |  0.31
Output  | 0.0001536  | 0.0001536  | 0.0001536  |   0.0 |  0.00
Modify  | 0.37399    | 0.37399    | 0.37399    |   0.0 |  0.90
Other   |            | 0.06603    |            |       |  0.16

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:        137089.0 ave      137089 max      137089 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137089
Ave neighs/atom = 68.544500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.680765900393, Press = -0.246519391464037
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.0834   -8052.0834   -8126.6169   -8126.6169    288.45252    288.45252    23613.915    23613.915   -902.23731   -902.23731 
   68000   -8049.3932   -8049.3932   -8124.5361   -8124.5361    290.81082    290.81082    23642.182    23642.182   -3486.2438   -3486.2438 
Loop time of 40.8982 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.113 ns/day, 11.361 hours/ns, 24.451 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    | 40.339     | 40.339     | 40.339     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12545    | 0.12545    | 0.12545    |   0.0 |  0.31
Output  | 0.00015222 | 0.00015222 | 0.00015222 |   0.0 |  0.00
Modify  | 0.3673     | 0.3673     | 0.3673     |   0.0 |  0.90
Other   |            | 0.06657    |            |       |  0.16

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:        136987.0 ave      136987 max      136987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136987
Ave neighs/atom = 68.493500
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 = 292.64754090137, Press = 0.130461962919558
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.3932   -8049.3932   -8124.5361   -8124.5361    290.81082    290.81082    23642.182    23642.182   -3486.2438   -3486.2438 
   69000   -8053.3422   -8053.3422   -8128.3529   -8128.3529    290.29911    290.29911    23630.715    23630.715   -2609.8892   -2609.8892 
Loop time of 41.0639 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.104 ns/day, 11.407 hours/ns, 24.352 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    | 40.501     | 40.501     | 40.501     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12571    | 0.12571    | 0.12571    |   0.0 |  0.31
Output  | 0.00015258 | 0.00015258 | 0.00015258 |   0.0 |  0.00
Modify  | 0.37083    | 0.37083    | 0.37083    |   0.0 |  0.90
Other   |            | 0.06586    |            |       |  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:        136946.0 ave      136946 max      136946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136946
Ave neighs/atom = 68.473000
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 = 292.626041260349, Press = 1.19411061359529
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.3422   -8053.3422   -8128.3529   -8128.3529    290.29911    290.29911    23630.715    23630.715   -2609.8892   -2609.8892 
   70000    -8051.025    -8051.025   -8125.1018   -8125.1018    286.68487    286.68487    23600.358    23600.358     284.3342     284.3342 
Loop time of 40.5627 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.130 ns/day, 11.267 hours/ns, 24.653 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    | 40.008     | 40.008     | 40.008     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1244     | 0.1244     | 0.1244     |   0.0 |  0.31
Output  | 0.00015607 | 0.00015607 | 0.00015607 |   0.0 |  0.00
Modify  | 0.36403    | 0.36403    | 0.36403    |   0.0 |  0.90
Other   |            | 0.06621    |            |       |  0.16

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:        136912.0 ave      136912 max      136912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136912
Ave neighs/atom = 68.456000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.641500277599, Press = 1.17897641607671
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8051.025    -8051.025   -8125.1018   -8125.1018    286.68487    286.68487    23600.358    23600.358     284.3342     284.3342 
   71000   -8049.7176   -8049.7176   -8124.8708   -8124.8708    290.85032    290.85032    23589.647    23589.647    1337.1394    1337.1394 
Loop time of 41.4667 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.084 ns/day, 11.519 hours/ns, 24.116 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.896     | 40.896     | 40.896     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12659    | 0.12659    | 0.12659    |   0.0 |  0.31
Output  | 0.00015407 | 0.00015407 | 0.00015407 |   0.0 |  0.00
Modify  | 0.37683    | 0.37683    | 0.37683    |   0.0 |  0.91
Other   |            | 0.06697    |            |       |  0.16

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:        137074.0 ave      137074 max      137074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137074
Ave neighs/atom = 68.537000
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 = 292.666351479931, Press = 0.599442436517943
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.7176   -8049.7176   -8124.8708   -8124.8708    290.85032    290.85032    23589.647    23589.647    1337.1394    1337.1394 
   72000   -8052.8036   -8052.8036   -8127.4258   -8127.4258    288.79557    288.79557    23590.138    23590.138    1047.2228    1047.2228 
Loop time of 41.2892 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.469 hours/ns, 24.219 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    | 40.724     | 40.724     | 40.724     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12681    | 0.12681    | 0.12681    |   0.0 |  0.31
Output  | 0.00015459 | 0.00015459 | 0.00015459 |   0.0 |  0.00
Modify  | 0.37211    | 0.37211    | 0.37211    |   0.0 |  0.90
Other   |            | 0.06626    |            |       |  0.16

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:        137087.0 ave      137087 max      137087 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137087
Ave neighs/atom = 68.543500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.696603191381, Press = 0.0941807642680113
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.8036   -8052.8036   -8127.4258   -8127.4258    288.79557    288.79557    23590.138    23590.138    1047.2228    1047.2228 
   73000   -8050.3072   -8050.3072   -8127.4944   -8127.4944    298.72231    298.72231    23602.458    23602.458   -0.2149863   -0.2149863 
Loop time of 41.6571 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.074 ns/day, 11.571 hours/ns, 24.006 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.087     | 41.087     | 41.087     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1266     | 0.1266     | 0.1266     |   0.0 |  0.30
Output  | 0.00015313 | 0.00015313 | 0.00015313 |   0.0 |  0.00
Modify  | 0.37688    | 0.37688    | 0.37688    |   0.0 |  0.90
Other   |            | 0.0668     |            |       |  0.16

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:        137088.0 ave      137088 max      137088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137088
Ave neighs/atom = 68.544000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.677231845312, Press = 0.029586022256905
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.3072   -8050.3072   -8127.4944   -8127.4944    298.72231    298.72231    23602.458    23602.458   -0.2149863   -0.2149863 
   74000   -8052.6357   -8052.6357   -8127.6534   -8127.6534    290.32638    290.32638    23598.219    23598.219    474.94491    474.94491 
Loop time of 41.7316 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.070 ns/day, 11.592 hours/ns, 23.963 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.158     | 41.158     | 41.158     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12722    | 0.12722    | 0.12722    |   0.0 |  0.30
Output  | 0.00015461 | 0.00015461 | 0.00015461 |   0.0 |  0.00
Modify  | 0.37951    | 0.37951    | 0.37951    |   0.0 |  0.91
Other   |            | 0.06655    |            |       |  0.16

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:        137094.0 ave      137094 max      137094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137094
Ave neighs/atom = 68.547000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.671370039422, Press = -0.0669386213949291
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.6357   -8052.6357   -8127.6534   -8127.6534    290.32638    290.32638    23598.219    23598.219    474.94491    474.94491 
   75000   -8048.8739   -8048.8739   -8123.8105   -8123.8105    290.01221    290.01221    23607.075    23607.075   -319.93189   -319.93189 
Loop time of 41.4788 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.083 ns/day, 11.522 hours/ns, 24.109 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    | 40.907     | 40.907     | 40.907     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12608    | 0.12608    | 0.12608    |   0.0 |  0.30
Output  | 0.00015677 | 0.00015677 | 0.00015677 |   0.0 |  0.00
Modify  | 0.37784    | 0.37784    | 0.37784    |   0.0 |  0.91
Other   |            | 0.06729    |            |       |  0.16

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:        137062.0 ave      137062 max      137062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137062
Ave neighs/atom = 68.531000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.676363642009, Press = -0.0346154512018466
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.8739   -8048.8739   -8123.8105   -8123.8105    290.01221    290.01221    23607.075    23607.075   -319.93189   -319.93189 
   76000   -8050.4829   -8050.4829   -8123.7955   -8123.7955     283.7275     283.7275    23613.149    23613.149   -758.32599   -758.32599 
Loop time of 40.2944 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.144 ns/day, 11.193 hours/ns, 24.817 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.747     | 39.747     | 39.747     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1221     | 0.1221     | 0.1221     |   0.0 |  0.30
Output  | 0.00015642 | 0.00015642 | 0.00015642 |   0.0 |  0.00
Modify  | 0.35992    | 0.35992    | 0.35992    |   0.0 |  0.89
Other   |            | 0.06543    |            |       |  0.16

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:        137156.0 ave      137156 max      137156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137156
Ave neighs/atom = 68.578000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.680449684422, Press = -0.0812376690915876
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.4829   -8050.4829   -8123.7955   -8123.7955     283.7275     283.7275    23613.149    23613.149   -758.32599   -758.32599 
   77000   -8049.5255   -8049.5255   -8126.6671   -8126.6671    298.54594    298.54594    23616.038    23616.038   -946.53505   -946.53505 
Loop time of 40.8105 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.117 ns/day, 11.336 hours/ns, 24.504 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.253     | 40.253     | 40.253     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1247     | 0.1247     | 0.1247     |   0.0 |  0.31
Output  | 0.00015415 | 0.00015415 | 0.00015415 |   0.0 |  0.00
Modify  | 0.36585    | 0.36585    | 0.36585    |   0.0 |  0.90
Other   |            | 0.06668    |            |       |  0.16

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:        137050.0 ave      137050 max      137050 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137050
Ave neighs/atom = 68.525000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.707305192463, Press = 0.25211271902598
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.5255   -8049.5255   -8126.6671   -8126.6671    298.54594    298.54594    23616.038    23616.038   -946.53505   -946.53505 
   78000   -8046.1453   -8046.1453   -8125.0091   -8125.0091    305.21085    305.21085    23613.347    23613.347   -680.84825   -680.84825 
Loop time of 41.7126 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.071 ns/day, 11.587 hours/ns, 23.974 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    | 41.138     | 41.138     | 41.138     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12655    | 0.12655    | 0.12655    |   0.0 |  0.30
Output  | 0.00015467 | 0.00015467 | 0.00015467 |   0.0 |  0.00
Modify  | 0.38046    | 0.38046    | 0.38046    |   0.0 |  0.91
Other   |            | 0.06715    |            |       |  0.16

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:        136942.0 ave      136942 max      136942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136942
Ave neighs/atom = 68.471000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.73074536604, Press = 0.619972566478183
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8046.1453   -8046.1453   -8125.0091   -8125.0091    305.21085    305.21085    23613.347    23613.347   -680.84825   -680.84825 
   79000   -8052.2455   -8052.2455   -8127.7908   -8127.7908     292.3683     292.3683    23582.609    23582.609    1842.3978    1842.3978 
Loop time of 41.5267 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.081 ns/day, 11.535 hours/ns, 24.081 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    | 40.959     | 40.959     | 40.959     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12588    | 0.12588    | 0.12588    |   0.0 |  0.30
Output  | 0.00015243 | 0.00015243 | 0.00015243 |   0.0 |  0.00
Modify  | 0.37507    | 0.37507    | 0.37507    |   0.0 |  0.90
Other   |            | 0.06683    |            |       |  0.16

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:        137075.0 ave      137075 max      137075 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137075
Ave neighs/atom = 68.537500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.764475723806, Press = 0.965137788537989
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.2455   -8052.2455   -8127.7908   -8127.7908     292.3683     292.3683    23582.609    23582.609    1842.3978    1842.3978 
   80000    -8049.884    -8049.884   -8126.9428   -8126.9428    298.22552    298.22552    23560.292    23560.292    3971.4686    3971.4686 
Loop time of 41.3627 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.089 ns/day, 11.490 hours/ns, 24.176 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.795     | 40.795     | 40.795     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12597    | 0.12597    | 0.12597    |   0.0 |  0.30
Output  | 0.0001521  | 0.0001521  | 0.0001521  |   0.0 |  0.00
Modify  | 0.37507    | 0.37507    | 0.37507    |   0.0 |  0.91
Other   |            | 0.06638    |            |       |  0.16

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:        136982.0 ave      136982 max      136982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136982
Ave neighs/atom = 68.491000
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 = 292.763321435756, Press = 0.532132010695025
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8049.884    -8049.884   -8126.9428   -8126.9428    298.22552    298.22552    23560.292    23560.292    3971.4686    3971.4686 
   81000   -8051.0182   -8051.0182   -8126.2269   -8126.2269    291.06539    291.06539    23586.288    23586.288    1639.9815    1639.9815 
Loop time of 40.7445 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.121 ns/day, 11.318 hours/ns, 24.543 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.189     | 40.189     | 40.189     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12318    | 0.12318    | 0.12318    |   0.0 |  0.30
Output  | 0.00020081 | 0.00020081 | 0.00020081 |   0.0 |  0.00
Modify  | 0.36638    | 0.36638    | 0.36638    |   0.0 |  0.90
Other   |            | 0.06573    |            |       |  0.16

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:        137168.0 ave      137168 max      137168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137168
Ave neighs/atom = 68.584000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.725624903483, Press = -0.156883621264839
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.0182   -8051.0182   -8126.2269   -8126.2269    291.06539    291.06539    23586.288    23586.288    1639.9815    1639.9815 
   82000   -8051.2737   -8051.2737   -8126.1734   -8126.1734    289.86973    289.86973    23600.405    23600.405    328.27444    328.27444 
Loop time of 40.989 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.386 hours/ns, 24.397 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.429     | 40.429     | 40.429     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12525    | 0.12525    | 0.12525    |   0.0 |  0.31
Output  | 0.00048845 | 0.00048845 | 0.00048845 |   0.0 |  0.00
Modify  | 0.36811    | 0.36811    | 0.36811    |   0.0 |  0.90
Other   |            | 0.06623    |            |       |  0.16

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:        137073.0 ave      137073 max      137073 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137073
Ave neighs/atom = 68.536500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.722066990718, Press = -0.27348517682352
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.2737   -8051.2737   -8126.1734   -8126.1734    289.86973    289.86973    23600.405    23600.405    328.27444    328.27444 
   83000   -8052.6705   -8052.6705   -8124.9439   -8124.9439    279.70528    279.70528    23612.836    23612.836   -844.96929   -844.96929 
Loop time of 40.6845 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.124 ns/day, 11.301 hours/ns, 24.579 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.131     | 40.131     | 40.131     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12354    | 0.12354    | 0.12354    |   0.0 |  0.30
Output  | 0.000152   | 0.000152   | 0.000152   |   0.0 |  0.00
Modify  | 0.36439    | 0.36439    | 0.36439    |   0.0 |  0.90
Other   |            | 0.06575    |            |       |  0.16

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:        137002.0 ave      137002 max      137002 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137002
Ave neighs/atom = 68.501000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.686185007617, Press = -0.332099835869733
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.6705   -8052.6705   -8124.9439   -8124.9439    279.70528    279.70528    23612.836    23612.836   -844.96929   -844.96929 
   84000   -8049.5221   -8049.5221   -8126.3627   -8126.3627    297.38106    297.38106    23624.084    23624.084   -1794.5427   -1794.5427 
Loop time of 41.5538 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.079 ns/day, 11.543 hours/ns, 24.065 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    | 40.984     | 40.984     | 40.984     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12592    | 0.12592    | 0.12592    |   0.0 |  0.30
Output  | 0.00019103 | 0.00019103 | 0.00019103 |   0.0 |  0.00
Modify  | 0.37651    | 0.37651    | 0.37651    |   0.0 |  0.91
Other   |            | 0.06696    |            |       |  0.16

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:        137005.0 ave      137005 max      137005 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137005
Ave neighs/atom = 68.502500
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 = 292.67718673559, Press = -0.0829932876374886
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.5221   -8049.5221   -8126.3627   -8126.3627    297.38106    297.38106    23624.084    23624.084   -1794.5427   -1794.5427 
   85000   -8047.3396   -8047.3396   -8123.4874   -8123.4874    294.70018    294.70018    23633.579    23633.579   -2424.1187   -2424.1187 
Loop time of 41.718 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.071 ns/day, 11.588 hours/ns, 23.970 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    | 41.146     | 41.146     | 41.146     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12595    | 0.12595    | 0.12595    |   0.0 |  0.30
Output  | 0.00015713 | 0.00015713 | 0.00015713 |   0.0 |  0.00
Modify  | 0.37938    | 0.37938    | 0.37938    |   0.0 |  0.91
Other   |            | 0.06667    |            |       |  0.16

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:        136936.0 ave      136936 max      136936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136936
Ave neighs/atom = 68.468000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.668924613157, Press = 0.390275207373423
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.3396   -8047.3396   -8123.4874   -8123.4874    294.70018    294.70018    23633.579    23633.579   -2424.1187   -2424.1187 
   86000   -8051.1161   -8051.1161    -8125.353    -8125.353    287.30447    287.30447    23613.858    23613.858   -891.94332   -891.94332 
Loop time of 41.7594 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.069 ns/day, 11.600 hours/ns, 23.947 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    | 41.186     | 41.186     | 41.186     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12792    | 0.12792    | 0.12792    |   0.0 |  0.31
Output  | 0.00019393 | 0.00019393 | 0.00019393 |   0.0 |  0.00
Modify  | 0.37946    | 0.37946    | 0.37946    |   0.0 |  0.91
Other   |            | 0.06596    |            |       |  0.16

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:        137034.0 ave      137034 max      137034 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137034
Ave neighs/atom = 68.517000
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 = 292.693687854804, Press = 0.978760337944386
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.1161   -8051.1161    -8125.353    -8125.353    287.30447    287.30447    23613.858    23613.858   -891.94332   -891.94332 
   87000   -8049.4546   -8049.4546   -8125.9037   -8125.9037    295.86608    295.86608    23583.935    23583.935    1771.4979    1771.4979 
Loop time of 40.7021 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.123 ns/day, 11.306 hours/ns, 24.569 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.147     | 40.147     | 40.147     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12433    | 0.12433    | 0.12433    |   0.0 |  0.31
Output  | 0.00015529 | 0.00015529 | 0.00015529 |   0.0 |  0.00
Modify  | 0.36457    | 0.36457    | 0.36457    |   0.0 |  0.90
Other   |            | 0.06612    |            |       |  0.16

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:        136979.0 ave      136979 max      136979 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136979
Ave neighs/atom = 68.489500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.73474778417, Press = 0.832682988589289
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.4546   -8049.4546   -8125.9037   -8125.9037    295.86608    295.86608    23583.935    23583.935    1771.4979    1771.4979 
   88000   -8049.3239   -8049.3239   -8125.3437   -8125.3437    294.20441    294.20441    23582.008    23582.008    1957.7925    1957.7925 
Loop time of 41.1843 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.098 ns/day, 11.440 hours/ns, 24.281 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.622     | 40.622     | 40.622     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12645    | 0.12645    | 0.12645    |   0.0 |  0.31
Output  | 0.00015475 | 0.00015475 | 0.00015475 |   0.0 |  0.00
Modify  | 0.37024    | 0.37024    | 0.37024    |   0.0 |  0.90
Other   |            | 0.06581    |            |       |  0.16

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:        137040.0 ave      137040 max      137040 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137040
Ave neighs/atom = 68.520000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.743839798818, Press = 0.188156058271916
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.3239   -8049.3239   -8125.3437   -8125.3437    294.20441    294.20441    23582.008    23582.008    1957.7925    1957.7925 
   89000   -8052.3905   -8052.3905   -8127.9625   -8127.9625    292.47169    292.47169    23579.333    23579.333    2096.0427    2096.0427 
Loop time of 42.0754 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.053 ns/day, 11.688 hours/ns, 23.767 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.501     | 41.501     | 41.501     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12761    | 0.12761    | 0.12761    |   0.0 |  0.30
Output  | 0.00020085 | 0.00020085 | 0.00020085 |   0.0 |  0.00
Modify  | 0.38051    | 0.38051    | 0.38051    |   0.0 |  0.90
Other   |            | 0.06639    |            |       |  0.16

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:        137211.0 ave      137211 max      137211 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137211
Ave neighs/atom = 68.605500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.742453011524, Press = -0.166727945225495
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.3905   -8052.3905   -8127.9625   -8127.9625    292.47169    292.47169    23579.333    23579.333    2096.0427    2096.0427 
   90000   -8047.6134   -8047.6134   -8126.1137   -8126.1137    303.80434    303.80434    23603.896    23603.896    52.306482    52.306482 
Loop time of 40.854 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.115 ns/day, 11.348 hours/ns, 24.477 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.297     | 40.297     | 40.297     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12455    | 0.12455    | 0.12455    |   0.0 |  0.30
Output  | 0.00015323 | 0.00015323 | 0.00015323 |   0.0 |  0.00
Modify  | 0.36654    | 0.36654    | 0.36654    |   0.0 |  0.90
Other   |            | 0.06562    |            |       |  0.16

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:        137067.0 ave      137067 max      137067 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137067
Ave neighs/atom = 68.533500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.740933447426, Press = -0.504120125209529
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.6134   -8047.6134   -8126.1137   -8126.1137    303.80434    303.80434    23603.896    23603.896    52.306482    52.306482 
   91000   -8052.3761   -8052.3761   -8127.6397   -8127.6397    291.27798    291.27798    23610.048    23610.048   -633.83366   -633.83366 
Loop time of 40.4399 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.137 ns/day, 11.233 hours/ns, 24.728 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    | 39.888     | 39.888     | 39.888     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12388    | 0.12388    | 0.12388    |   0.0 |  0.31
Output  | 0.00015649 | 0.00015649 | 0.00015649 |   0.0 |  0.00
Modify  | 0.3617     | 0.3617     | 0.3617     |   0.0 |  0.89
Other   |            | 0.06583    |            |       |  0.16

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:        137046.0 ave      137046 max      137046 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137046
Ave neighs/atom = 68.523000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.757398280225, Press = -0.263552102091045
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.3761   -8052.3761   -8127.6397   -8127.6397    291.27798    291.27798    23610.048    23610.048   -633.83366   -633.83366 
   92000   -8048.0003   -8048.0003   -8123.4762   -8123.4762     292.0994     292.0994    23618.694    23618.694   -1326.6259   -1326.6259 
Loop time of 41.4448 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.085 ns/day, 11.512 hours/ns, 24.128 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    | 40.877     | 40.877     | 40.877     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12607    | 0.12607    | 0.12607    |   0.0 |  0.30
Output  | 0.00015471 | 0.00015471 | 0.00015471 |   0.0 |  0.00
Modify  | 0.37519    | 0.37519    | 0.37519    |   0.0 |  0.91
Other   |            | 0.06621    |            |       |  0.16

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:        136986.0 ave      136986 max      136986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136986
Ave neighs/atom = 68.493000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.768093649772, Press = -0.214858327976827
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.0003   -8048.0003   -8123.4762   -8123.4762     292.0994     292.0994    23618.694    23618.694   -1326.6259   -1326.6259 
   93000   -8052.2638   -8052.2638   -8126.2068   -8126.2068    286.16736    286.16736    23628.225    23628.225   -2280.2131   -2280.2131 
Loop time of 40.4482 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.136 ns/day, 11.236 hours/ns, 24.723 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.895     | 39.895     | 39.895     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12364    | 0.12364    | 0.12364    |   0.0 |  0.31
Output  | 0.00020326 | 0.00020326 | 0.00020326 |   0.0 |  0.00
Modify  | 0.36308    | 0.36308    | 0.36308    |   0.0 |  0.90
Other   |            | 0.06605    |            |       |  0.16

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:        137038.0 ave      137038 max      137038 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137038
Ave neighs/atom = 68.519000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.762861662797, Press = 0.0541408857817323
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.2638   -8052.2638   -8126.2068   -8126.2068    286.16736    286.16736    23628.225    23628.225   -2280.2131   -2280.2131 
   94000   -8049.1495   -8049.1495   -8125.6366   -8125.6366    296.01275    296.01275    23620.503    23620.503   -1288.9689   -1288.9689 
Loop time of 40.2689 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.146 ns/day, 11.186 hours/ns, 24.833 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.718     | 39.718     | 39.718     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12217    | 0.12217    | 0.12217    |   0.0 |  0.30
Output  | 0.0001994  | 0.0001994  | 0.0001994  |   0.0 |  0.00
Modify  | 0.36215    | 0.36215    | 0.36215    |   0.0 |  0.90
Other   |            | 0.06608    |            |       |  0.16

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:        136961.0 ave      136961 max      136961 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136961
Ave neighs/atom = 68.480500
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 = 292.764608692459, Press = 1.0433190006147
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.1495   -8049.1495   -8125.6366   -8125.6366    296.01275    296.01275    23620.503    23620.503   -1288.9689   -1288.9689 
   95000   -8051.4928   -8051.4928   -8125.0487   -8125.0487    284.66894    284.66894    23589.176    23589.176    1112.7761    1112.7761 
Loop time of 40.6151 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.127 ns/day, 11.282 hours/ns, 24.621 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    | 40.058     | 40.058     | 40.058     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12455    | 0.12455    | 0.12455    |   0.0 |  0.31
Output  | 0.00015452 | 0.00015452 | 0.00015452 |   0.0 |  0.00
Modify  | 0.36634    | 0.36634    | 0.36634    |   0.0 |  0.90
Other   |            | 0.06641    |            |       |  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:        136963.0 ave      136963 max      136963 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136963
Ave neighs/atom = 68.481500
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 = 292.732772607298, Press = 0.933182749908284
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.4928   -8051.4928   -8125.0487   -8125.0487    284.66894    284.66894    23589.176    23589.176    1112.7761    1112.7761 
   96000   -8050.7646   -8050.7646   -8127.4759   -8127.4759    296.88046    296.88046    23579.578    23579.578    2066.4479    2066.4479 
Loop time of 40.1962 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.149 ns/day, 11.166 hours/ns, 24.878 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.646     | 39.646     | 39.646     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12226    | 0.12226    | 0.12226    |   0.0 |  0.30
Output  | 0.00015618 | 0.00015618 | 0.00015618 |   0.0 |  0.00
Modify  | 0.36142    | 0.36142    | 0.36142    |   0.0 |  0.90
Other   |            | 0.06592    |            |       |  0.16

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:        137123.0 ave      137123 max      137123 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137123
Ave neighs/atom = 68.561500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.73791125307, Press = 0.29265411947648
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.7646   -8050.7646   -8127.4759   -8127.4759    296.88046    296.88046    23579.578    23579.578    2066.4479    2066.4479 
   97000   -8049.7595   -8049.7595   -8127.3666   -8127.3666    300.34778    300.34778    23579.146    23579.146    2146.5975    2146.5975 
Loop time of 40.7493 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.120 ns/day, 11.319 hours/ns, 24.540 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.191     | 40.191     | 40.191     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12371    | 0.12371    | 0.12371    |   0.0 |  0.30
Output  | 0.00015658 | 0.00015658 | 0.00015658 |   0.0 |  0.00
Modify  | 0.36812    | 0.36812    | 0.36812    |   0.0 |  0.90
Other   |            | 0.06592    |            |       |  0.16

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:        137185.0 ave      137185 max      137185 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137185
Ave neighs/atom = 68.592500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.740252075317, Press = -0.050545239394179
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.7595   -8049.7595   -8127.3666   -8127.3666    300.34778    300.34778    23579.146    23579.146    2146.5975    2146.5975 
   98000   -8053.0538   -8053.0538    -8128.148    -8128.148     290.6222     290.6222    23593.247    23593.247    672.41387    672.41387 
Loop time of 40.7534 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.120 ns/day, 11.320 hours/ns, 24.538 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.194     | 40.194     | 40.194     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12463    | 0.12463    | 0.12463    |   0.0 |  0.31
Output  | 0.00015983 | 0.00015983 | 0.00015983 |   0.0 |  0.00
Modify  | 0.36826    | 0.36826    | 0.36826    |   0.0 |  0.90
Other   |            | 0.06675    |            |       |  0.16

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:        137080.0 ave      137080 max      137080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137080
Ave neighs/atom = 68.540000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.743171574466, Press = -0.506243604828673
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.0538   -8053.0538    -8128.148    -8128.148     290.6222     290.6222    23593.247    23593.247    672.41387    672.41387 
   99000   -8049.4215   -8049.4215   -8126.9973   -8126.9973    300.22628    300.22628    23614.966    23614.966   -1094.2207   -1094.2207 
Loop time of 41.036 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.105 ns/day, 11.399 hours/ns, 24.369 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.475     | 40.475     | 40.475     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12434    | 0.12434    | 0.12434    |   0.0 |  0.30
Output  | 0.00015093 | 0.00015093 | 0.00015093 |   0.0 |  0.00
Modify  | 0.36981    | 0.36981    | 0.36981    |   0.0 |  0.90
Other   |            | 0.06632    |            |       |  0.16

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:        137035.0 ave      137035 max      137035 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137035
Ave neighs/atom = 68.517500
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 = 292.732234691125, Press = -0.485364089518767
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.4215   -8049.4215   -8126.9973   -8126.9973    300.22628    300.22628    23614.966    23614.966   -1094.2207   -1094.2207 
  100000   -8052.7301   -8052.7301   -8126.9189   -8126.9189    287.11835    287.11835    23639.241    23639.241   -3397.8661   -3397.8661 
Loop time of 41.1884 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.098 ns/day, 11.441 hours/ns, 24.279 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    | 40.625     | 40.625     | 40.625     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12513    | 0.12513    | 0.12513    |   0.0 |  0.30
Output  | 0.0001683  | 0.0001683  | 0.0001683  |   0.0 |  0.00
Modify  | 0.37224    | 0.37224    | 0.37224    |   0.0 |  0.90
Other   |            | 0.06584    |            |       |  0.16

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:        136993.0 ave      136993 max      136993 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136993
Ave neighs/atom = 68.496500
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 = 292.714223028715, Press = -0.428904181463163
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.7301   -8052.7301   -8126.9189   -8126.9189    287.11835    287.11835    23639.241    23639.241   -3397.8661   -3397.8661 
  101000   -8046.4394   -8046.4394   -8123.8759   -8123.8759    299.68708    299.68708    23662.677    23662.677   -5126.2761   -5126.2761 
Loop time of 40.525 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.132 ns/day, 11.257 hours/ns, 24.676 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.971     | 39.971     | 39.971     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12472    | 0.12472    | 0.12472    |   0.0 |  0.31
Output  | 0.00015494 | 0.00015494 | 0.00015494 |   0.0 |  0.00
Modify  | 0.36375    | 0.36375    | 0.36375    |   0.0 |  0.90
Other   |            | 0.06563    |            |       |  0.16

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:        136885.0 ave      136885 max      136885 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136885
Ave neighs/atom = 68.442500
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 = 292.730159484144, Press = 0.476754785144337
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8046.4394   -8046.4394   -8123.8759   -8123.8759    299.68708    299.68708    23662.677    23662.677   -5126.2761   -5126.2761 
  102000   -8050.3974   -8050.3974   -8127.6855   -8127.6855    299.11282    299.11282    23610.122    23610.122   -627.34309   -627.34309 
Loop time of 40.1685 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.151 ns/day, 11.158 hours/ns, 24.895 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.621     | 39.621     | 39.621     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12221    | 0.12221    | 0.12221    |   0.0 |  0.30
Output  | 0.00015422 | 0.00015422 | 0.00015422 |   0.0 |  0.00
Modify  | 0.36       | 0.36       | 0.36       |   0.0 |  0.90
Other   |            | 0.06558    |            |       |  0.16

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:        136928.0 ave      136928 max      136928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136928
Ave neighs/atom = 68.464000
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 = 292.758362612899, Press = 0.53090745247095
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.3974   -8050.3974   -8127.6855   -8127.6855    299.11282    299.11282    23610.122    23610.122   -627.34309   -627.34309 
  103000   -8049.4577   -8049.4577   -8124.6801   -8124.6801    291.11852    291.11852    23595.612    23595.612    810.47229    810.47229 
Loop time of 41.1959 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.097 ns/day, 11.443 hours/ns, 24.274 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    | 40.632     | 40.632     | 40.632     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12684    | 0.12684    | 0.12684    |   0.0 |  0.31
Output  | 0.000156   | 0.000156   | 0.000156   |   0.0 |  0.00
Modify  | 0.37111    | 0.37111    | 0.37111    |   0.0 |  0.90
Other   |            | 0.06566    |            |       |  0.16

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:        136982.0 ave      136982 max      136982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136982
Ave neighs/atom = 68.491000
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 = 292.760960082139, Press = 0.410927090960216
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.4577   -8049.4577   -8124.6801   -8124.6801    291.11852    291.11852    23595.612    23595.612    810.47229    810.47229 
  104000   -8053.1065   -8053.1065   -8127.8527   -8127.8527    289.27529    289.27529    23583.508    23583.508    1684.0274    1684.0274 
Loop time of 41.0035 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.107 ns/day, 11.390 hours/ns, 24.388 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.442     | 40.442     | 40.442     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12354    | 0.12354    | 0.12354    |   0.0 |  0.30
Output  | 0.00015411 | 0.00015411 | 0.00015411 |   0.0 |  0.00
Modify  | 0.37124    | 0.37124    | 0.37124    |   0.0 |  0.91
Other   |            | 0.06668    |            |       |  0.16

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:        137076.0 ave      137076 max      137076 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137076
Ave neighs/atom = 68.538000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.764461308802, Press = 0.341871986273878
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.1065   -8053.1065   -8127.8527   -8127.8527    289.27529    289.27529    23583.508    23583.508    1684.0274    1684.0274 
  105000   -8048.9926   -8048.9926   -8125.7704   -8125.7704    297.13769    297.13769    23568.395    23568.395    3242.3039    3242.3039 
Loop time of 40.7462 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.120 ns/day, 11.318 hours/ns, 24.542 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    | 40.19      | 40.19      | 40.19      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12444    | 0.12444    | 0.12444    |   0.0 |  0.31
Output  | 0.00015437 | 0.00015437 | 0.00015437 |   0.0 |  0.00
Modify  | 0.36567    | 0.36567    | 0.36567    |   0.0 |  0.90
Other   |            | 0.06606    |            |       |  0.16

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:        137014.0 ave      137014 max      137014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137014
Ave neighs/atom = 68.507000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.746219172498, Press = -0.00753869550282889
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.9926   -8048.9926   -8125.7704   -8125.7704    297.13769    297.13769    23568.395    23568.395    3242.3039    3242.3039 
  106000    -8053.631    -8053.631   -8126.8177   -8126.8177    283.24006    283.24006    23580.345    23580.345    1858.8285    1858.8285 
Loop time of 41.3845 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.496 hours/ns, 24.164 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.816     | 40.816     | 40.816     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12675    | 0.12675    | 0.12675    |   0.0 |  0.31
Output  | 0.00015535 | 0.00015535 | 0.00015535 |   0.0 |  0.00
Modify  | 0.37504    | 0.37504    | 0.37504    |   0.0 |  0.91
Other   |            | 0.06631    |            |       |  0.16

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:        137153.0 ave      137153 max      137153 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137153
Ave neighs/atom = 68.576500
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 = 292.733078747643, Press = -0.781882255271474
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8053.631    -8053.631   -8126.8177   -8126.8177    283.24006    283.24006    23580.345    23580.345    1858.8285    1858.8285 
  107000   -8049.0931   -8049.0931    -8124.179    -8124.179    290.59011    290.59011    23613.534    23613.534   -848.86611   -848.86611 
Loop time of 41.0426 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.105 ns/day, 11.401 hours/ns, 24.365 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    | 40.48      | 40.48      | 40.48      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1264     | 0.1264     | 0.1264     |   0.0 |  0.31
Output  | 0.00015378 | 0.00015378 | 0.00015378 |   0.0 |  0.00
Modify  | 0.3699     | 0.3699     | 0.3699     |   0.0 |  0.90
Other   |            | 0.06604    |            |       |  0.16

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:        137069.0 ave      137069 max      137069 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137069
Ave neighs/atom = 68.534500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.712096139517, Press = -0.375460650476112
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.0931   -8049.0931    -8124.179    -8124.179    290.59011    290.59011    23613.534    23613.534   -848.86611   -848.86611 
  108000   -8051.1666   -8051.1666   -8127.7646   -8127.7646      296.442      296.442    23612.008    23612.008   -749.19578   -749.19578 
Loop time of 40.6018 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.128 ns/day, 11.278 hours/ns, 24.629 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    | 40.046     | 40.046     | 40.046     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12391    | 0.12391    | 0.12391    |   0.0 |  0.31
Output  | 0.00015694 | 0.00015694 | 0.00015694 |   0.0 |  0.00
Modify  | 0.3646     | 0.3646     | 0.3646     |   0.0 |  0.90
Other   |            | 0.06682    |            |       |  0.16

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:        137007.0 ave      137007 max      137007 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137007
Ave neighs/atom = 68.503500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.708929719765, Press = -0.106626657865311
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.1666   -8051.1666   -8127.7646   -8127.7646      296.442      296.442    23612.008    23612.008   -749.19578   -749.19578 
  109000    -8052.126    -8052.126   -8128.4978   -8128.4978    295.56691    295.56691    23617.297    23617.297   -1285.0547   -1285.0547 
Loop time of 41.3857 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.496 hours/ns, 24.163 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    | 40.819     | 40.819     | 40.819     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12602    | 0.12602    | 0.12602    |   0.0 |  0.30
Output  | 0.00015021 | 0.00015021 | 0.00015021 |   0.0 |  0.00
Modify  | 0.37321    | 0.37321    | 0.37321    |   0.0 |  0.90
Other   |            | 0.06698    |            |       |  0.16

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:        136954.0 ave      136954 max      136954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136954
Ave neighs/atom = 68.477000
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 = 292.72029100272, Press = 0.140020366737081
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8052.126    -8052.126   -8128.4978   -8128.4978    295.56691    295.56691    23617.297    23617.297   -1285.0547   -1285.0547 
  110000   -8048.7018   -8048.7018   -8124.8385   -8124.8385      294.657      294.657    23618.616    23618.616   -1324.0796   -1324.0796 
Loop time of 40.4984 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.133 ns/day, 11.250 hours/ns, 24.692 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.944     | 39.944     | 39.944     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12312    | 0.12312    | 0.12312    |   0.0 |  0.30
Output  | 0.00015724 | 0.00015724 | 0.00015724 |   0.0 |  0.00
Modify  | 0.36428    | 0.36428    | 0.36428    |   0.0 |  0.90
Other   |            | 0.06655    |            |       |  0.16

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:        136928.0 ave      136928 max      136928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136928
Ave neighs/atom = 68.464000
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 = 292.722457229952, Press = 0.427212711273307
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.7018   -8048.7018   -8124.8385   -8124.8385      294.657      294.657    23618.616    23618.616   -1324.0796   -1324.0796 
  111000     -8049.47     -8049.47   -8125.4618   -8125.4618    294.09592    294.09592    23595.516    23595.516    810.20034    810.20034 
Loop time of 41.1189 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.101 ns/day, 11.422 hours/ns, 24.320 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.556     | 40.556     | 40.556     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12475    | 0.12475    | 0.12475    |   0.0 |  0.30
Output  | 0.00049102 | 0.00049102 | 0.00049102 |   0.0 |  0.00
Modify  | 0.37172    | 0.37172    | 0.37172    |   0.0 |  0.90
Other   |            | 0.06588    |            |       |  0.16

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:        137009.0 ave      137009 max      137009 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137009
Ave neighs/atom = 68.504500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.734261716193, Press = 0.907453999440756
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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     -8049.47     -8049.47   -8125.4618   -8125.4618    294.09592    294.09592    23595.516    23595.516    810.20034    810.20034 
  112000    -8050.218    -8050.218   -8125.1989   -8125.1989    290.18384    290.18384    23568.771    23568.771    3144.9518    3144.9518 
Loop time of 40.9921 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.387 hours/ns, 24.395 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    | 40.43      | 40.43      | 40.43      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1243     | 0.1243     | 0.1243     |   0.0 |  0.30
Output  | 0.00019905 | 0.00019905 | 0.00019905 |   0.0 |  0.00
Modify  | 0.37052    | 0.37052    | 0.37052    |   0.0 |  0.90
Other   |            | 0.06661    |            |       |  0.16

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:        137053.0 ave      137053 max      137053 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137053
Ave neighs/atom = 68.526500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.732406704111, Press = 0.601049281730946
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8050.218    -8050.218   -8125.1989   -8125.1989    290.18384    290.18384    23568.771    23568.771    3144.9518    3144.9518 
  113000   -8050.9127   -8050.9127   -8126.5386   -8126.5386    292.67979    292.67979     23568.74     23568.74    3186.3485    3186.3485 
Loop time of 41.0313 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.398 hours/ns, 24.372 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.472     | 40.472     | 40.472     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12457    | 0.12457    | 0.12457    |   0.0 |  0.30
Output  | 0.00015398 | 0.00015398 | 0.00015398 |   0.0 |  0.00
Modify  | 0.36818    | 0.36818    | 0.36818    |   0.0 |  0.90
Other   |            | 0.06658    |            |       |  0.16

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:        137180.0 ave      137180 max      137180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137180
Ave neighs/atom = 68.590000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.736204741769, Press = -0.021768464653445
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.9127   -8050.9127   -8126.5386   -8126.5386    292.67979    292.67979     23568.74     23568.74    3186.3485    3186.3485 
  114000   -8047.4408   -8047.4408   -8124.5593   -8124.5593    298.45644    298.45644    23593.784    23593.784    1078.0035    1078.0035 
Loop time of 40.8904 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.113 ns/day, 11.358 hours/ns, 24.456 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.331     | 40.331     | 40.331     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12397    | 0.12397    | 0.12397    |   0.0 |  0.30
Output  | 0.00015589 | 0.00015589 | 0.00015589 |   0.0 |  0.00
Modify  | 0.36925    | 0.36925    | 0.36925    |   0.0 |  0.90
Other   |            | 0.06572    |            |       |  0.16

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:        137091.0 ave      137091 max      137091 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137091
Ave neighs/atom = 68.545500
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 = 292.748665532519, Press = -0.344391642707114
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.4408   -8047.4408   -8124.5593   -8124.5593    298.45644    298.45644    23593.784    23593.784    1078.0035    1078.0035 
  115000   -8051.3594   -8051.3594   -8126.0083   -8126.0083    288.89902    288.89902    23615.582    23615.582    -1004.081    -1004.081 
Loop time of 40.9631 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.109 ns/day, 11.379 hours/ns, 24.412 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    | 40.4       | 40.4       | 40.4       |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12622    | 0.12622    | 0.12622    |   0.0 |  0.31
Output  | 0.00019178 | 0.00019178 | 0.00019178 |   0.0 |  0.00
Modify  | 0.37027    | 0.37027    | 0.37027    |   0.0 |  0.90
Other   |            | 0.06669    |            |       |  0.16

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:        137075.0 ave      137075 max      137075 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137075
Ave neighs/atom = 68.537500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.769063537017, Press = -0.393525240107044
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.3594   -8051.3594   -8126.0083   -8126.0083    288.89902    288.89902    23615.582    23615.582    -1004.081    -1004.081 
  116000   -8049.3889   -8049.3889   -8125.8305   -8125.8305    295.83686    295.83686    23631.016    23631.016   -2315.4337   -2315.4337 
Loop time of 40.8649 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.114 ns/day, 11.351 hours/ns, 24.471 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    | 40.303     | 40.303     | 40.303     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12519    | 0.12519    | 0.12519    |   0.0 |  0.31
Output  | 0.000155   | 0.000155   | 0.000155   |   0.0 |  0.00
Modify  | 0.3707     | 0.3707     | 0.3707     |   0.0 |  0.91
Other   |            | 0.06627    |            |       |  0.16

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:        136953.0 ave      136953 max      136953 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136953
Ave neighs/atom = 68.476500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.78313443696, Press = -0.136034195604154
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.3889   -8049.3889   -8125.8305   -8125.8305    295.83686    295.83686    23631.016    23631.016   -2315.4337   -2315.4337 
  117000   -8052.7089   -8052.7089   -8127.7486   -8127.7486    290.41134    290.41134    23638.219    23638.219   -3095.1031   -3095.1031 
Loop time of 41.3371 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.090 ns/day, 11.483 hours/ns, 24.191 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.77      | 40.77      | 40.77      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12601    | 0.12601    | 0.12601    |   0.0 |  0.30
Output  | 0.00015556 | 0.00015556 | 0.00015556 |   0.0 |  0.00
Modify  | 0.37445    | 0.37445    | 0.37445    |   0.0 |  0.91
Other   |            | 0.06682    |            |       |  0.16

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:        136892.0 ave      136892 max      136892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136892
Ave neighs/atom = 68.446000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.797237481493, Press = 0.2850720170959
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.7089   -8052.7089   -8127.7486   -8127.7486    290.41134    290.41134    23638.219    23638.219   -3095.1031   -3095.1031 
  118000   -8049.6726   -8049.6726   -8125.9889   -8125.9889    295.35184    295.35184    23620.721    23620.721   -1442.0907   -1442.0907 
Loop time of 41.1385 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.100 ns/day, 11.427 hours/ns, 24.308 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.574     | 40.574     | 40.574     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12594    | 0.12594    | 0.12594    |   0.0 |  0.31
Output  | 0.00015566 | 0.00015566 | 0.00015566 |   0.0 |  0.00
Modify  | 0.37172    | 0.37172    | 0.37172    |   0.0 |  0.90
Other   |            | 0.06699    |            |       |  0.16

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:        136859.0 ave      136859 max      136859 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136859
Ave neighs/atom = 68.429500
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 = 292.785167818241, Press = 0.987002897023045
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.6726   -8049.6726   -8125.9889   -8125.9889    295.35184    295.35184    23620.721    23620.721   -1442.0907   -1442.0907 
  119000   -8052.6305   -8052.6305   -8128.9004   -8128.9004    295.17245    295.17245    23589.243    23589.243    1329.6322    1329.6322 
Loop time of 40.7892 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.118 ns/day, 11.330 hours/ns, 24.516 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.229     | 40.229     | 40.229     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12448    | 0.12448    | 0.12448    |   0.0 |  0.31
Output  | 0.00015342 | 0.00015342 | 0.00015342 |   0.0 |  0.00
Modify  | 0.36916    | 0.36916    | 0.36916    |   0.0 |  0.91
Other   |            | 0.06654    |            |       |  0.16

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:        136884.0 ave      136884 max      136884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136884
Ave neighs/atom = 68.442000
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 = 292.778596277648, Press = 0.637051864975276
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.6305   -8052.6305   -8128.9004   -8128.9004    295.17245    295.17245    23589.243    23589.243    1329.6322    1329.6322 
  120000    -8050.506    -8050.506   -8124.2801   -8124.2801    285.51339    285.51339    23588.048    23588.048     1527.601     1527.601 
Loop time of 41.6263 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.076 ns/day, 11.563 hours/ns, 24.023 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    | 41.053     | 41.053     | 41.053     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12708    | 0.12708    | 0.12708    |   0.0 |  0.31
Output  | 0.00015579 | 0.00015579 | 0.00015579 |   0.0 |  0.00
Modify  | 0.37935    | 0.37935    | 0.37935    |   0.0 |  0.91
Other   |            | 0.06684    |            |       |  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:        136942.0 ave      136942 max      136942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136942
Ave neighs/atom = 68.471000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.783643599516, Press = 0.264355340299987
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8050.506    -8050.506   -8124.2801   -8124.2801    285.51339    285.51339    23588.048    23588.048     1527.601     1527.601 
  121000   -8049.0883   -8049.0883    -8128.353    -8128.353    306.76235    306.76235    23585.086    23585.086    1734.5986    1734.5986 
Loop time of 41.5548 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.079 ns/day, 11.543 hours/ns, 24.065 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    | 40.984     | 40.984     | 40.984     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12675    | 0.12675    | 0.12675    |   0.0 |  0.31
Output  | 0.00031997 | 0.00031997 | 0.00031997 |   0.0 |  0.00
Modify  | 0.37767    | 0.37767    | 0.37767    |   0.0 |  0.91
Other   |            | 0.06578    |            |       |  0.16

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:        137151.0 ave      137151 max      137151 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137151
Ave neighs/atom = 68.575500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.782433737483, Press = -0.0473687814389094
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.0883   -8049.0883    -8128.353    -8128.353    306.76235    306.76235    23585.086    23585.086    1734.5986    1734.5986 
  122000    -8055.532    -8055.532   -8127.3459   -8127.3459    277.92724    277.92724    23597.634    23597.634    239.65818    239.65818 
Loop time of 40.7349 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.121 ns/day, 11.315 hours/ns, 24.549 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    | 40.176     | 40.176     | 40.176     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12387    | 0.12387    | 0.12387    |   0.0 |  0.30
Output  | 0.00015611 | 0.00015611 | 0.00015611 |   0.0 |  0.00
Modify  | 0.36838    | 0.36838    | 0.36838    |   0.0 |  0.90
Other   |            | 0.06606    |            |       |  0.16

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:        137054.0 ave      137054 max      137054 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137054
Ave neighs/atom = 68.527000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.769356166876, Press = -0.322370588770597
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8055.532    -8055.532   -8127.3459   -8127.3459    277.92724    277.92724    23597.634    23597.634    239.65818    239.65818 
  123000    -8049.151    -8049.151   -8125.8201   -8125.8201    296.71734    296.71734    23638.703    23638.703   -3021.8769   -3021.8769 
Loop time of 41.0422 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.105 ns/day, 11.401 hours/ns, 24.365 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.479     | 40.479     | 40.479     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12469    | 0.12469    | 0.12469    |   0.0 |  0.30
Output  | 0.0001583  | 0.0001583  | 0.0001583  |   0.0 |  0.00
Modify  | 0.37181    | 0.37181    | 0.37181    |   0.0 |  0.91
Other   |            | 0.06671    |            |       |  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:        136997.0 ave      136997 max      136997 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136997
Ave neighs/atom = 68.498500
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 = 292.760190590415, Press = -0.96999110616119
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8049.151    -8049.151   -8125.8201   -8125.8201    296.71734    296.71734    23638.703    23638.703   -3021.8769   -3021.8769 
  124000   -8052.8056   -8052.8056   -8128.6584   -8128.6584    293.55835    293.55835    23650.843    23650.843   -4258.9373   -4258.9373 
Loop time of 41.3858 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.496 hours/ns, 24.163 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    | 40.818     | 40.818     | 40.818     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12591    | 0.12591    | 0.12591    |   0.0 |  0.30
Output  | 0.00020375 | 0.00020375 | 0.00020375 |   0.0 |  0.00
Modify  | 0.37571    | 0.37571    | 0.37571    |   0.0 |  0.91
Other   |            | 0.0662     |            |       |  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:        136935.0 ave      136935 max      136935 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136935
Ave neighs/atom = 68.467500
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 = 292.746318562004, Press = -0.10687179971271
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.8056   -8052.8056   -8128.6584   -8128.6584    293.55835    293.55835    23650.843    23650.843   -4258.9373   -4258.9373 
  125000   -8049.5831   -8049.5831     -8125.72     -8125.72    294.65796    294.65796    23627.974    23627.974   -2146.5548   -2146.5548 
Loop time of 40.1377 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.153 ns/day, 11.149 hours/ns, 24.914 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.589     | 39.589     | 39.589     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1223     | 0.1223     | 0.1223     |   0.0 |  0.30
Output  | 0.0001525  | 0.0001525  | 0.0001525  |   0.0 |  0.00
Modify  | 0.35976    | 0.35976    | 0.35976    |   0.0 |  0.90
Other   |            | 0.06613    |            |       |  0.16

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:        136801.0 ave      136801 max      136801 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136801
Ave neighs/atom = 68.400500
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 = 292.746921940542, Press = 0.386929298819818
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.5831   -8049.5831     -8125.72     -8125.72    294.65796    294.65796    23627.974    23627.974   -2146.5548   -2146.5548 
  126000   -8046.2804   -8046.2804   -8123.6939   -8123.6939    299.59824    299.59824    23609.888    23609.888   -497.61465   -497.61465 
Loop time of 40.2451 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.147 ns/day, 11.179 hours/ns, 24.848 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.695     | 39.695     | 39.695     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12313    | 0.12313    | 0.12313    |   0.0 |  0.31
Output  | 0.00019977 | 0.00019977 | 0.00019977 |   0.0 |  0.00
Modify  | 0.36068    | 0.36068    | 0.36068    |   0.0 |  0.90
Other   |            | 0.06643    |            |       |  0.17

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:        136956.0 ave      136956 max      136956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136956
Ave neighs/atom = 68.478000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.757619750268, Press = 0.512574514466129
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8046.2804   -8046.2804   -8123.6939   -8123.6939    299.59824    299.59824    23609.888    23609.888   -497.61465   -497.61465 
  127000   -8050.9997   -8050.9997   -8126.4901   -8126.4901    292.15534    292.15534    23593.519    23593.519    822.76792    822.76792 
Loop time of 40.6987 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.123 ns/day, 11.305 hours/ns, 24.571 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.143     | 40.143     | 40.143     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12401    | 0.12401    | 0.12401    |   0.0 |  0.30
Output  | 0.00014584 | 0.00014584 | 0.00014584 |   0.0 |  0.00
Modify  | 0.36495    | 0.36495    | 0.36495    |   0.0 |  0.90
Other   |            | 0.06636    |            |       |  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:        137089.0 ave      137089 max      137089 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137089
Ave neighs/atom = 68.544500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.77779162533, Press = 0.475902577439782
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.9997   -8050.9997   -8126.4901   -8126.4901    292.15534    292.15534    23593.519    23593.519    822.76792    822.76792 
  128000   -8047.3316   -8047.3316   -8127.0851   -8127.0851    308.65451    308.65451    23569.316    23569.316     3285.707     3285.707 
Loop time of 41.6703 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.073 ns/day, 11.575 hours/ns, 23.998 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    | 41.1       | 41.1       | 41.1       |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12644    | 0.12644    | 0.12644    |   0.0 |  0.30
Output  | 0.00015589 | 0.00015589 | 0.00015589 |   0.0 |  0.00
Modify  | 0.37768    | 0.37768    | 0.37768    |   0.0 |  0.91
Other   |            | 0.06631    |            |       |  0.16

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:        137054.0 ave      137054 max      137054 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137054
Ave neighs/atom = 68.527000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.802634008719, Press = 0.370664266709888
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.3316   -8047.3316   -8127.0851   -8127.0851    308.65451    308.65451    23569.316    23569.316     3285.707     3285.707 
  129000   -8051.9425   -8051.9425    -8128.762    -8128.762    297.29927    297.29927    23552.134    23552.134    4691.8195    4691.8195 
Loop time of 41.1819 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.098 ns/day, 11.439 hours/ns, 24.283 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.62      | 40.62      | 40.62      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1255     | 0.1255     | 0.1255     |   0.0 |  0.30
Output  | 0.00015864 | 0.00015864 | 0.00015864 |   0.0 |  0.00
Modify  | 0.37069    | 0.37069    | 0.37069    |   0.0 |  0.90
Other   |            | 0.06594    |            |       |  0.16

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:        137071.0 ave      137071 max      137071 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137071
Ave neighs/atom = 68.535500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.808526292522, Press = -0.244256952457912
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.9425   -8051.9425    -8128.762    -8128.762    297.29927    297.29927    23552.134    23552.134    4691.8195    4691.8195 
  130000   -8048.5449   -8048.5449   -8125.5923   -8125.5923    298.18132    298.18132    23599.642    23599.642    388.88933    388.88933 
Loop time of 40.4929 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.134 ns/day, 11.248 hours/ns, 24.696 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    | 39.941     | 39.941     | 39.941     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1239     | 0.1239     | 0.1239     |   0.0 |  0.31
Output  | 0.00015246 | 0.00015246 | 0.00015246 |   0.0 |  0.00
Modify  | 0.36246    | 0.36246    | 0.36246    |   0.0 |  0.90
Other   |            | 0.0653     |            |       |  0.16

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:        137052.0 ave      137052 max      137052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137052
Ave neighs/atom = 68.526000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.800759523298, Press = -0.322326870249373
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.5449   -8048.5449   -8125.5923   -8125.5923    298.18132    298.18132    23599.642    23599.642    388.88933    388.88933 
  131000   -8054.8719   -8054.8719   -8127.5155   -8127.5155    281.13849    281.13849    23614.739    23614.739   -1192.2378   -1192.2378 
Loop time of 40.8933 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.113 ns/day, 11.359 hours/ns, 24.454 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.333     | 40.333     | 40.333     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12487    | 0.12487    | 0.12487    |   0.0 |  0.31
Output  | 0.00019638 | 0.00019638 | 0.00019638 |   0.0 |  0.00
Modify  | 0.36879    | 0.36879    | 0.36879    |   0.0 |  0.90
Other   |            | 0.066      |            |       |  0.16

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:        137084.0 ave      137084 max      137084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137084
Ave neighs/atom = 68.542000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.787326672601, Press = -0.167253430753177
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8054.8719   -8054.8719   -8127.5155   -8127.5155    281.13849    281.13849    23614.739    23614.739   -1192.2378   -1192.2378 
  132000   -8049.5454   -8049.5454   -8126.1637   -8126.1637    296.52076    296.52076    23629.523    23629.523   -2162.8139   -2162.8139 
Loop time of 42.3961 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.038 ns/day, 11.777 hours/ns, 23.587 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.812     | 41.812     | 41.812     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12941    | 0.12941    | 0.12941    |   0.0 |  0.31
Output  | 0.00015513 | 0.00015513 | 0.00015513 |   0.0 |  0.00
Modify  | 0.38865    | 0.38865    | 0.38865    |   0.0 |  0.92
Other   |            | 0.06587    |            |       |  0.16

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:        136985.0 ave      136985 max      136985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136985
Ave neighs/atom = 68.492500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.782077907396, Press = 0.0774692964794897
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.5454   -8049.5454   -8126.1637   -8126.1637    296.52076    296.52076    23629.523    23629.523   -2162.8139   -2162.8139 
  133000   -8053.2411   -8053.2411   -8126.5252   -8126.5252    283.61707    283.61707    23627.697    23627.697   -2232.4692   -2232.4692 
Loop time of 41.0845 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.412 hours/ns, 24.340 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.521     | 40.521     | 40.521     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12596    | 0.12596    | 0.12596    |   0.0 |  0.31
Output  | 0.00015094 | 0.00015094 | 0.00015094 |   0.0 |  0.00
Modify  | 0.37154    | 0.37154    | 0.37154    |   0.0 |  0.90
Other   |            | 0.06634    |            |       |  0.16

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:        136930.0 ave      136930 max      136930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136930
Ave neighs/atom = 68.465000
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 = 292.761642223711, Press = 0.411742519426403
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.2411   -8053.2411   -8126.5252   -8126.5252    283.61707    283.61707    23627.697    23627.697   -2232.4692   -2232.4692 
  134000   -8051.8126   -8051.8126   -8125.8469   -8125.8469    286.52032    286.52032    23616.364    23616.364   -1132.9448   -1132.9448 
Loop time of 41.544 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.080 ns/day, 11.540 hours/ns, 24.071 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    | 40.977     | 40.977     | 40.977     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12573    | 0.12573    | 0.12573    |   0.0 |  0.30
Output  | 0.00019681 | 0.00019681 | 0.00019681 |   0.0 |  0.00
Modify  | 0.37393    | 0.37393    | 0.37393    |   0.0 |  0.90
Other   |            | 0.06678    |            |       |  0.16

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:        136912.0 ave      136912 max      136912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136912
Ave neighs/atom = 68.456000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.769012274632, Press = 1.05377673768424
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.8126   -8051.8126   -8125.8469   -8125.8469    286.52032    286.52032    23616.364    23616.364   -1132.9448   -1132.9448 
  135000   -8046.7373   -8046.7373   -8124.6813   -8124.6813    301.65122    301.65122    23576.596    23576.596    2720.2376    2720.2376 
Loop time of 40.2471 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.147 ns/day, 11.180 hours/ns, 24.847 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.696     | 39.696     | 39.696     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12257    | 0.12257    | 0.12257    |   0.0 |  0.30
Output  | 0.0001566  | 0.0001566  | 0.0001566  |   0.0 |  0.00
Modify  | 0.36215    | 0.36215    | 0.36215    |   0.0 |  0.90
Other   |            | 0.06571    |            |       |  0.16

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:        136946.0 ave      136946 max      136946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136946
Ave neighs/atom = 68.473000
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 = 292.790896210854, Press = 0.963379850070496
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8046.7373   -8046.7373   -8124.6813   -8124.6813    301.65122    301.65122    23576.596    23576.596    2720.2376    2720.2376 
  136000   -8051.5836   -8051.5836   -8126.2247   -8126.2247    288.86841    288.86841    23583.616    23583.616    1819.0746    1819.0746 
Loop time of 41.7226 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.071 ns/day, 11.590 hours/ns, 23.968 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    | 41.147     | 41.147     | 41.147     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12695    | 0.12695    | 0.12695    |   0.0 |  0.30
Output  | 0.00015362 | 0.00015362 | 0.00015362 |   0.0 |  0.00
Modify  | 0.38179    | 0.38179    | 0.38179    |   0.0 |  0.92
Other   |            | 0.06702    |            |       |  0.16

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:        137086.0 ave      137086 max      137086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137086
Ave neighs/atom = 68.543000
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 = 292.807413350202, Press = 0.342698618996641
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.5836   -8051.5836   -8126.2247   -8126.2247    288.86841    288.86841    23583.616    23583.616    1819.0746    1819.0746 
  137000   -8046.9076   -8046.9076   -8123.9423   -8123.9423    298.13221    298.13221    23590.808    23590.808    1279.2382    1279.2382 
Loop time of 41.7021 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.072 ns/day, 11.584 hours/ns, 23.980 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.128     | 41.128     | 41.128     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12795    | 0.12795    | 0.12795    |   0.0 |  0.31
Output  | 0.00015487 | 0.00015487 | 0.00015487 |   0.0 |  0.00
Modify  | 0.37926    | 0.37926    | 0.37926    |   0.0 |  0.91
Other   |            | 0.06659    |            |       |  0.16

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:        137008.0 ave      137008 max      137008 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137008
Ave neighs/atom = 68.504000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.827903530951, Press = 0.0884415640356229
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8046.9076   -8046.9076   -8123.9423   -8123.9423    298.13221    298.13221    23590.808    23590.808    1279.2382    1279.2382 
  138000   -8049.4683   -8049.4683   -8125.0095   -8125.0095    292.35205    292.35205    23600.234    23600.234    489.17268    489.17268 
Loop time of 40.6274 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.127 ns/day, 11.285 hours/ns, 24.614 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.075     | 40.075     | 40.075     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12351    | 0.12351    | 0.12351    |   0.0 |  0.30
Output  | 0.00015396 | 0.00015396 | 0.00015396 |   0.0 |  0.00
Modify  | 0.36322    | 0.36322    | 0.36322    |   0.0 |  0.89
Other   |            | 0.06563    |            |       |  0.16

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:        137081.0 ave      137081 max      137081 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137081
Ave neighs/atom = 68.540500
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 = 292.826381635787, Press = -0.0899988677185765
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.4683   -8049.4683   -8125.0095   -8125.0095    292.35205    292.35205    23600.234    23600.234    489.17268    489.17268 
  139000   -8052.0196   -8052.0196   -8126.1072   -8126.1072    286.72666    286.72666    23624.804    23624.804   -1851.0325   -1851.0325 
Loop time of 41.978 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.058 ns/day, 11.661 hours/ns, 23.822 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    | 41.403     | 41.403     | 41.403     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12829    | 0.12829    | 0.12829    |   0.0 |  0.31
Output  | 0.00015451 | 0.00015451 | 0.00015451 |   0.0 |  0.00
Modify  | 0.38033    | 0.38033    | 0.38033    |   0.0 |  0.91
Other   |            | 0.0665     |            |       |  0.16

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:        137015.0 ave      137015 max      137015 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137015
Ave neighs/atom = 68.507500
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 = 292.817422477771, Press = -0.371548376051807
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.0196   -8052.0196   -8126.1072   -8126.1072    286.72666    286.72666    23624.804    23624.804   -1851.0325   -1851.0325 
  140000   -8049.5331   -8049.5331   -8126.9471   -8126.9471     299.6002     299.6002    23656.635    23656.635   -4766.5461   -4766.5461 
Loop time of 41.3458 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.090 ns/day, 11.485 hours/ns, 24.186 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    | 40.778     | 40.778     | 40.778     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12647    | 0.12647    | 0.12647    |   0.0 |  0.31
Output  | 0.00049711 | 0.00049711 | 0.00049711 |   0.0 |  0.00
Modify  | 0.37407    | 0.37407    | 0.37407    |   0.0 |  0.90
Other   |            | 0.067      |            |       |  0.16

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:        136880.0 ave      136880 max      136880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136880
Ave neighs/atom = 68.440000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.799004147818, Press = 0.0555212016582586
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.5331   -8049.5331   -8126.9471   -8126.9471     299.6002     299.6002    23656.635    23656.635   -4766.5461   -4766.5461 
  141000   -8050.8778   -8050.8778   -8126.7373   -8126.7373    293.58388    293.58388    23629.078    23629.078   -2238.1176   -2238.1176 
Loop time of 40.4602 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.135 ns/day, 11.239 hours/ns, 24.716 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.908     | 39.908     | 39.908     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12253    | 0.12253    | 0.12253    |   0.0 |  0.30
Output  | 0.00019468 | 0.00019468 | 0.00019468 |   0.0 |  0.00
Modify  | 0.36324    | 0.36324    | 0.36324    |   0.0 |  0.90
Other   |            | 0.06601    |            |       |  0.16

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:        136870.0 ave      136870 max      136870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136870
Ave neighs/atom = 68.435000
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 = 292.795095394274, Press = 0.570300796934981
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.8778   -8050.8778   -8126.7373   -8126.7373    293.58388    293.58388    23629.078    23629.078   -2238.1176   -2238.1176 
  142000   -8048.5629   -8048.5629   -8124.4339   -8124.4339    293.62852    293.62852    23610.134    23610.134   -611.41952   -611.41952 
Loop time of 40.7973 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.118 ns/day, 11.333 hours/ns, 24.511 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.238     | 40.238     | 40.238     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12456    | 0.12456    | 0.12456    |   0.0 |  0.31
Output  | 0.00015366 | 0.00015366 | 0.00015366 |   0.0 |  0.00
Modify  | 0.3683     | 0.3683     | 0.3683     |   0.0 |  0.90
Other   |            | 0.06591    |            |       |  0.16

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:        136959.0 ave      136959 max      136959 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136959
Ave neighs/atom = 68.479500
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 = 292.79545115644, Press = 0.682794432786286
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.5629   -8048.5629   -8124.4339   -8124.4339    293.62852    293.62852    23610.134    23610.134   -611.41952   -611.41952 
  143000   -8053.2182   -8053.2182   -8128.2968   -8128.2968    290.56207    290.56207     23585.89     23585.89    1536.0036    1536.0036 
Loop time of 42.1437 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.050 ns/day, 11.707 hours/ns, 23.728 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    | 41.568     | 41.568     | 41.568     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12881    | 0.12881    | 0.12881    |   0.0 |  0.31
Output  | 0.00015404 | 0.00015404 | 0.00015404 |   0.0 |  0.00
Modify  | 0.38045    | 0.38045    | 0.38045    |   0.0 |  0.90
Other   |            | 0.0666     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5466.00 ave        5466 max        5466 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        137064.0 ave      137064 max      137064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137064
Ave neighs/atom = 68.532000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.778825673038, Press = 0.657141101678411
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.2182   -8053.2182   -8128.2968   -8128.2968    290.56207    290.56207     23585.89     23585.89    1536.0036    1536.0036 
  144000   -8049.5997   -8049.5997   -8124.2255   -8124.2255    288.80942    288.80942    23581.032    23581.032    2115.5134    2115.5134 
Loop time of 41.9254 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.061 ns/day, 11.646 hours/ns, 23.852 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.343     | 41.343     | 41.343     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12915    | 0.12915    | 0.12915    |   0.0 |  0.31
Output  | 0.00015625 | 0.00015625 | 0.00015625 |   0.0 |  0.00
Modify  | 0.38607    | 0.38607    | 0.38607    |   0.0 |  0.92
Other   |            | 0.0673     |            |       |  0.16

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:        137003.0 ave      137003 max      137003 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137003
Ave neighs/atom = 68.501500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.778848118506, Press = 0.415217082956889
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.5997   -8049.5997   -8124.2255   -8124.2255    288.80942    288.80942    23581.032    23581.032    2115.5134    2115.5134 
  145000   -8053.3989   -8053.3989   -8128.0536   -8128.0536    288.92141    288.92141    23587.636    23587.636    1333.2114    1333.2114 
Loop time of 41.0892 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.414 hours/ns, 24.337 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.524     | 40.524     | 40.524     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12639    | 0.12639    | 0.12639    |   0.0 |  0.31
Output  | 0.00015059 | 0.00015059 | 0.00015059 |   0.0 |  0.00
Modify  | 0.37253    | 0.37253    | 0.37253    |   0.0 |  0.91
Other   |            | 0.06618    |            |       |  0.16

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:        137047.0 ave      137047 max      137047 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137047
Ave neighs/atom = 68.523500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.761687149157, Press = 0.119047224083731
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.3989   -8053.3989   -8128.0536   -8128.0536    288.92141    288.92141    23587.636    23587.636    1333.2114    1333.2114 
  146000   -8051.3935   -8051.3935   -8127.7916   -8127.7916    295.66857    295.66857    23601.634    23601.634    150.23169    150.23169 
Loop time of 41.243 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.095 ns/day, 11.456 hours/ns, 24.247 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    | 40.679     | 40.679     | 40.679     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12541    | 0.12541    | 0.12541    |   0.0 |  0.30
Output  | 0.00015121 | 0.00015121 | 0.00015121 |   0.0 |  0.00
Modify  | 0.3727     | 0.3727     | 0.3727     |   0.0 |  0.90
Other   |            | 0.0661     |            |       |  0.16

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:        137030.0 ave      137030 max      137030 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137030
Ave neighs/atom = 68.515000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.763676533118, Press = 0.0731621411748783
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.3935   -8051.3935   -8127.7916   -8127.7916    295.66857    295.66857    23601.634    23601.634    150.23169    150.23169 
  147000   -8048.6458   -8048.6458   -8125.4465   -8125.4465    297.22666    297.22666    23611.208    23611.208   -685.86477   -685.86477 
Loop time of 41.068 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.104 ns/day, 11.408 hours/ns, 24.350 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.505     | 40.505     | 40.505     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1261     | 0.1261     | 0.1261     |   0.0 |  0.31
Output  | 0.00018765 | 0.00018765 | 0.00018765 |   0.0 |  0.00
Modify  | 0.37112    | 0.37112    | 0.37112    |   0.0 |  0.90
Other   |            | 0.06596    |            |       |  0.16

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:        136988.0 ave      136988 max      136988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136988
Ave neighs/atom = 68.494000
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 = 292.761624612942, Press = 0.120999104756154
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.6458   -8048.6458   -8125.4465   -8125.4465    297.22666    297.22666    23611.208    23611.208   -685.86477   -685.86477 
  148000   -8051.6261   -8051.6261   -8128.4738   -8128.4738    297.40847    297.40847     23617.22     23617.22   -1329.5253   -1329.5253 
Loop time of 40.4915 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.134 ns/day, 11.248 hours/ns, 24.697 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.939     | 39.939     | 39.939     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12292    | 0.12292    | 0.12292    |   0.0 |  0.30
Output  | 0.00015508 | 0.00015508 | 0.00015508 |   0.0 |  0.00
Modify  | 0.36371    | 0.36371    | 0.36371    |   0.0 |  0.90
Other   |            | 0.066      |            |       |  0.16

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:        137071.0 ave      137071 max      137071 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137071
Ave neighs/atom = 68.535500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.775769926315, Press = 0.111320470723682
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.6261   -8051.6261   -8128.4738   -8128.4738    297.40847    297.40847     23617.22     23617.22   -1329.5253   -1329.5253 
  149000   -8047.0771   -8047.0771   -8125.2735   -8125.2735    302.62797    302.62797     23633.63     23633.63   -2647.2928   -2647.2928 
Loop time of 41.6897 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.072 ns/day, 11.580 hours/ns, 23.987 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    | 41.116     | 41.116     | 41.116     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12698    | 0.12698    | 0.12698    |   0.0 |  0.30
Output  | 0.00015522 | 0.00015522 | 0.00015522 |   0.0 |  0.00
Modify  | 0.37986    | 0.37986    | 0.37986    |   0.0 |  0.91
Other   |            | 0.06684    |            |       |  0.16

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:        136944.0 ave      136944 max      136944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136944
Ave neighs/atom = 68.472000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.790574774935, Press = 0.413427806645237
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.0771   -8047.0771   -8125.2735   -8125.2735    302.62797    302.62797     23633.63     23633.63   -2647.2928   -2647.2928 
  150000   -8050.8298   -8050.8298   -8125.8026   -8125.8026    290.15251    290.15251    23612.239    23612.239   -794.29043   -794.29043 
Loop time of 40.5082 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.133 ns/day, 11.252 hours/ns, 24.686 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.955     | 39.955     | 39.955     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12403    | 0.12403    | 0.12403    |   0.0 |  0.31
Output  | 0.00015665 | 0.00015665 | 0.00015665 |   0.0 |  0.00
Modify  | 0.36317    | 0.36317    | 0.36317    |   0.0 |  0.90
Other   |            | 0.06623    |            |       |  0.16

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:        136971.0 ave      136971 max      136971 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136971
Ave neighs/atom = 68.485500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.811361841476, Press = 0.804210392706946
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.8298   -8050.8298   -8125.8026   -8125.8026    290.15251    290.15251    23612.239    23612.239   -794.29043   -794.29043 
  151000   -8047.6238   -8047.6238   -8124.0618   -8124.0618    295.82298    295.82298    23587.007    23587.007    1567.1567    1567.1567 
Loop time of 40.7766 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.119 ns/day, 11.327 hours/ns, 24.524 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.218     | 40.218     | 40.218     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12432    | 0.12432    | 0.12432    |   0.0 |  0.30
Output  | 0.00019911 | 0.00019911 | 0.00019911 |   0.0 |  0.00
Modify  | 0.36789    | 0.36789    | 0.36789    |   0.0 |  0.90
Other   |            | 0.06597    |            |       |  0.16

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:        137013.0 ave      137013 max      137013 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137013
Ave neighs/atom = 68.506500
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 = 292.816892223593, Press = 0.617853829793833
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.6238   -8047.6238   -8124.0618   -8124.0618    295.82298    295.82298    23587.007    23587.007    1567.1567    1567.1567 
  152000     -8051.78     -8051.78   -8126.6734   -8126.6734    289.84503    289.84503    23585.767    23585.767    1582.7752    1582.7752 
Loop time of 40.8814 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.113 ns/day, 11.356 hours/ns, 24.461 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.323     | 40.323     | 40.323     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12378    | 0.12378    | 0.12378    |   0.0 |  0.30
Output  | 0.00024864 | 0.00024864 | 0.00024864 |   0.0 |  0.00
Modify  | 0.36772    | 0.36772    | 0.36772    |   0.0 |  0.90
Other   |            | 0.06655    |            |       |  0.16

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:        137148.0 ave      137148 max      137148 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137148
Ave neighs/atom = 68.574000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.822679739967, Press = 0.266963022950646
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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     -8051.78     -8051.78   -8126.6734   -8126.6734    289.84503    289.84503    23585.767    23585.767    1582.7752    1582.7752 
  153000   -8049.3354   -8049.3354   -8124.9686   -8124.9686    292.70855    292.70855    23597.259    23597.259    699.70054    699.70054 
Loop time of 41.9126 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.061 ns/day, 11.642 hours/ns, 23.859 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.337     | 41.337     | 41.337     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12732    | 0.12732    | 0.12732    |   0.0 |  0.30
Output  | 0.00019145 | 0.00019145 | 0.00019145 |   0.0 |  0.00
Modify  | 0.38114    | 0.38114    | 0.38114    |   0.0 |  0.91
Other   |            | 0.06683    |            |       |  0.16

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:        137058.0 ave      137058 max      137058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137058
Ave neighs/atom = 68.529000
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 = 292.818388714606, Press = 0.137368673950261
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.3354   -8049.3354   -8124.9686   -8124.9686    292.70855    292.70855    23597.259    23597.259    699.70054    699.70054 
  154000   -8053.0117   -8053.0117   -8127.0218   -8127.0218    286.42673    286.42673    23599.837    23599.837    284.00175    284.00175 
Loop time of 41.6664 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.074 ns/day, 11.574 hours/ns, 24.000 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    | 41.093     | 41.093     | 41.093     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12683    | 0.12683    | 0.12683    |   0.0 |  0.30
Output  | 0.00020432 | 0.00020432 | 0.00020432 |   0.0 |  0.00
Modify  | 0.37989    | 0.37989    | 0.37989    |   0.0 |  0.91
Other   |            | 0.06645    |            |       |  0.16

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:        137056.0 ave      137056 max      137056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137056
Ave neighs/atom = 68.528000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.803901424444, Press = 0.126026940659741
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.0117   -8053.0117   -8127.0218   -8127.0218    286.42673    286.42673    23599.837    23599.837    284.00175    284.00175 
  155000   -8049.6724   -8049.6724   -8126.6652   -8126.6652    297.97001    297.97001     23606.47     23606.47    -145.6617    -145.6617 
Loop time of 40.5568 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.130 ns/day, 11.266 hours/ns, 24.657 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.004     | 40.004     | 40.004     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12252    | 0.12252    | 0.12252    |   0.0 |  0.30
Output  | 0.00015554 | 0.00015554 | 0.00015554 |   0.0 |  0.00
Modify  | 0.36418    | 0.36418    | 0.36418    |   0.0 |  0.90
Other   |            | 0.06588    |            |       |  0.16

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:        137003.0 ave      137003 max      137003 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137003
Ave neighs/atom = 68.501500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.795959194082, Press = 0.129245361848801
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.6724   -8049.6724   -8126.6652   -8126.6652    297.97001    297.97001     23606.47     23606.47    -145.6617    -145.6617 
  156000   -8047.1562   -8047.1562   -8124.8277   -8124.8277    300.59686    300.59686    23609.354    23609.354    -392.4979    -392.4979 
Loop time of 40.5621 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.130 ns/day, 11.267 hours/ns, 24.654 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.006     | 40.006     | 40.006     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1233     | 0.1233     | 0.1233     |   0.0 |  0.30
Output  | 0.00015616 | 0.00015616 | 0.00015616 |   0.0 |  0.00
Modify  | 0.36636    | 0.36636    | 0.36636    |   0.0 |  0.90
Other   |            | 0.0665     |            |       |  0.16

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:        136984.0 ave      136984 max      136984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136984
Ave neighs/atom = 68.492000
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 = 292.792820914667, Press = 0.141494429443871
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.1562   -8047.1562   -8124.8277   -8124.8277    300.59686    300.59686    23609.354    23609.354    -392.4979    -392.4979 
  157000   -8051.7208   -8051.7208   -8126.9269   -8126.9269    291.05552    291.05552    23604.422    23604.422   -72.453097   -72.453097 
Loop time of 41.8431 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.065 ns/day, 11.623 hours/ns, 23.899 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    | 41.267     | 41.267     | 41.267     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12882    | 0.12882    | 0.12882    |   0.0 |  0.31
Output  | 0.00015423 | 0.00015423 | 0.00015423 |   0.0 |  0.00
Modify  | 0.38081    | 0.38081    | 0.38081    |   0.0 |  0.91
Other   |            | 0.06677    |            |       |  0.16

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:        137012.0 ave      137012 max      137012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137012
Ave neighs/atom = 68.506000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.809129574447, Press = 0.209259678077362
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.7208   -8051.7208   -8126.9269   -8126.9269    291.05552    291.05552    23604.422    23604.422   -72.453097   -72.453097 
  158000   -8045.9514   -8045.9514   -8124.6604   -8124.6604    304.61206    304.61206    23605.963    23605.963   -38.805634   -38.805634 
Loop time of 40.8178 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.117 ns/day, 11.338 hours/ns, 24.499 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    | 40.256     | 40.256     | 40.256     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12643    | 0.12643    | 0.12643    |   0.0 |  0.31
Output  | 0.00015238 | 0.00015238 | 0.00015238 |   0.0 |  0.00
Modify  | 0.36872    | 0.36872    | 0.36872    |   0.0 |  0.90
Other   |            | 0.06695    |            |       |  0.16

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:        136958.0 ave      136958 max      136958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136958
Ave neighs/atom = 68.479000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.826879231022, Press = 0.27874552349781
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8045.9514   -8045.9514   -8124.6604   -8124.6604    304.61206    304.61206    23605.963    23605.963   -38.805634   -38.805634 
  159000   -8051.0133   -8051.0133   -8126.0816   -8126.0816    290.52195    290.52195    23588.256    23588.256    1403.9785    1403.9785 
Loop time of 42.8665 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.016 ns/day, 11.907 hours/ns, 23.328 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.271     | 42.271     | 42.271     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13155    | 0.13155    | 0.13155    |   0.0 |  0.31
Output  | 0.00015546 | 0.00015546 | 0.00015546 |   0.0 |  0.00
Modify  | 0.39688    | 0.39688    | 0.39688    |   0.0 |  0.93
Other   |            | 0.06735    |            |       |  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:        137089.0 ave      137089 max      137089 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137089
Ave neighs/atom = 68.544500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.83309885325, Press = 0.286871763035975
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.0133   -8051.0133   -8126.0816   -8126.0816    290.52195    290.52195    23588.256    23588.256    1403.9785    1403.9785 
  160000   -8054.5683   -8054.5683   -8128.7753   -8128.7753    287.18855    287.18855    23575.166    23575.166    2475.7775    2475.7775 
Loop time of 40.8499 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.115 ns/day, 11.347 hours/ns, 24.480 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.288     | 40.288     | 40.288     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12554    | 0.12554    | 0.12554    |   0.0 |  0.31
Output  | 0.00015453 | 0.00015453 | 0.00015453 |   0.0 |  0.00
Modify  | 0.36946    | 0.36946    | 0.36946    |   0.0 |  0.90
Other   |            | 0.06676    |            |       |  0.16

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:        137055.0 ave      137055 max      137055 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137055
Ave neighs/atom = 68.527500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.831915294419, Press = 0.114418705564799
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8054.5683   -8054.5683   -8128.7753   -8128.7753    287.18855    287.18855    23575.166    23575.166    2475.7775    2475.7775 
  161000   -8049.6526   -8049.6526   -8125.4603   -8125.4603    293.38338    293.38338    23579.355    23579.355    2293.0226    2293.0226 
Loop time of 41.3545 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.089 ns/day, 11.487 hours/ns, 24.181 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    | 40.785     | 40.785     | 40.785     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12657    | 0.12657    | 0.12657    |   0.0 |  0.31
Output  | 0.00015545 | 0.00015545 | 0.00015545 |   0.0 |  0.00
Modify  | 0.37586    | 0.37586    | 0.37586    |   0.0 |  0.91
Other   |            | 0.06667    |            |       |  0.16

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:        137083.0 ave      137083 max      137083 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137083
Ave neighs/atom = 68.541500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.822456613874, Press = -0.203070181572102
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.6526   -8049.6526   -8125.4603   -8125.4603    293.38338    293.38338    23579.355    23579.355    2293.0226    2293.0226 
  162000   -8053.5702   -8053.5702   -8127.5341   -8127.5341    286.24793    286.24793    23605.007    23605.007   -217.01728   -217.01728 
Loop time of 40.5418 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.131 ns/day, 11.262 hours/ns, 24.666 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.988     | 39.988     | 39.988     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12366    | 0.12366    | 0.12366    |   0.0 |  0.31
Output  | 0.00015629 | 0.00015629 | 0.00015629 |   0.0 |  0.00
Modify  | 0.36365    | 0.36365    | 0.36365    |   0.0 |  0.90
Other   |            | 0.06609    |            |       |  0.16

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:        137112.0 ave      137112 max      137112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137112
Ave neighs/atom = 68.556000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.807284491488, Press = -0.393263098744667
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8053.5702   -8053.5702   -8127.5341   -8127.5341    286.24793    286.24793    23605.007    23605.007   -217.01728   -217.01728 
  163000   -8052.2818   -8052.2818   -8126.9571   -8126.9571    289.00099    289.00099    23615.874    23615.874   -1215.1688   -1215.1688 
Loop time of 41.2019 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.097 ns/day, 11.445 hours/ns, 24.271 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    | 40.635     | 40.635     | 40.635     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12591    | 0.12591    | 0.12591    |   0.0 |  0.31
Output  | 0.00015312 | 0.00015312 | 0.00015312 |   0.0 |  0.00
Modify  | 0.3738     | 0.3738     | 0.3738     |   0.0 |  0.91
Other   |            | 0.06694    |            |       |  0.16

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:        136999.0 ave      136999 max      136999 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136999
Ave neighs/atom = 68.499500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.80930119112, Press = -0.0107651143231685
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.2818   -8052.2818   -8126.9571   -8126.9571    289.00099    289.00099    23615.874    23615.874   -1215.1688   -1215.1688 
  164000    -8046.988    -8046.988   -8124.0141   -8124.0141    298.09888    298.09888    23615.916    23615.916    -965.1465    -965.1465 
Loop time of 41.085 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.413 hours/ns, 24.340 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    | 40.522     | 40.522     | 40.522     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12562    | 0.12562    | 0.12562    |   0.0 |  0.31
Output  | 0.00015533 | 0.00015533 | 0.00015533 |   0.0 |  0.00
Modify  | 0.37107    | 0.37107    | 0.37107    |   0.0 |  0.90
Other   |            | 0.06634    |            |       |  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:        136969.0 ave      136969 max      136969 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136969
Ave neighs/atom = 68.484500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.822361822809, Press = 0.125370405215268
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8046.988    -8046.988   -8124.0141   -8124.0141    298.09888    298.09888    23615.916    23615.916    -965.1465    -965.1465 
  165000   -8050.4387   -8050.4387   -8126.0409   -8126.0409    292.58839    292.58839    23611.812    23611.812   -662.34456   -662.34456 
Loop time of 41.3787 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.494 hours/ns, 24.167 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    | 40.81      | 40.81      | 40.81      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12561    | 0.12561    | 0.12561    |   0.0 |  0.30
Output  | 0.00019747 | 0.00019747 | 0.00019747 |   0.0 |  0.00
Modify  | 0.37533    | 0.37533    | 0.37533    |   0.0 |  0.91
Other   |            | 0.06746    |            |       |  0.16

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:        137041.0 ave      137041 max      137041 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137041
Ave neighs/atom = 68.520500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.832738202836, Press = 0.17431229315775
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.4387   -8050.4387   -8126.0409   -8126.0409    292.58839    292.58839    23611.812    23611.812   -662.34456   -662.34456 
  166000   -8051.3333   -8051.3333   -8127.0757   -8127.0757     293.1309     293.1309    23607.197    23607.197   -317.30454   -317.30454 
Loop time of 41.5705 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.078 ns/day, 11.547 hours/ns, 24.056 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    | 40.999     | 40.999     | 40.999     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12735    | 0.12735    | 0.12735    |   0.0 |  0.31
Output  | 0.00015428 | 0.00015428 | 0.00015428 |   0.0 |  0.00
Modify  | 0.37779    | 0.37779    | 0.37779    |   0.0 |  0.91
Other   |            | 0.06664    |            |       |  0.16

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:        136989.0 ave      136989 max      136989 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136989
Ave neighs/atom = 68.494500
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 = 292.851732606182, Press = 0.372621982908599
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.3333   -8051.3333   -8127.0757   -8127.0757     293.1309     293.1309    23607.197    23607.197   -317.30454   -317.30454 
  167000   -8048.9136   -8048.9136   -8125.4084   -8125.4084     296.0429     296.0429    23580.358    23580.358    2191.2306    2191.2306 
Loop time of 41.8953 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.062 ns/day, 11.638 hours/ns, 23.869 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.317     | 41.317     | 41.317     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1289     | 0.1289     | 0.1289     |   0.0 |  0.31
Output  | 0.00023294 | 0.00023294 | 0.00023294 |   0.0 |  0.00
Modify  | 0.38235    | 0.38235    | 0.38235    |   0.0 |  0.91
Other   |            | 0.06718    |            |       |  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:        137047.0 ave      137047 max      137047 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137047
Ave neighs/atom = 68.523500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.855017243828, Press = 0.476142771658159
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.9136   -8048.9136   -8125.4084   -8125.4084     296.0429     296.0429    23580.358    23580.358    2191.2306    2191.2306 
  168000   -8052.1558   -8052.1558   -8126.4947   -8126.4947    287.69924    287.69924    23567.038    23567.038    3219.1302    3219.1302 
Loop time of 41.243 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.095 ns/day, 11.456 hours/ns, 24.247 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    | 40.676     | 40.676     | 40.676     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12642    | 0.12642    | 0.12642    |   0.0 |  0.31
Output  | 0.00015461 | 0.00015461 | 0.00015461 |   0.0 |  0.00
Modify  | 0.37442    | 0.37442    | 0.37442    |   0.0 |  0.91
Other   |            | 0.06629    |            |       |  0.16

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:        137101.0 ave      137101 max      137101 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137101
Ave neighs/atom = 68.550500
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 = 292.855559051644, Press = 0.159769110010344
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.1558   -8052.1558   -8126.4947   -8126.4947    287.69924    287.69924    23567.038    23567.038    3219.1302    3219.1302 
  169000   -8046.8098   -8046.8098   -8124.8874   -8124.8874    302.16845    302.16845    23584.297    23584.297    1924.5932    1924.5932 
Loop time of 40.4565 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.136 ns/day, 11.238 hours/ns, 24.718 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.903     | 39.903     | 39.903     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12276    | 0.12276    | 0.12276    |   0.0 |  0.30
Output  | 0.00045768 | 0.00045768 | 0.00045768 |   0.0 |  0.00
Modify  | 0.36391    | 0.36391    | 0.36391    |   0.0 |  0.90
Other   |            | 0.0664     |            |       |  0.16

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:        137122.0 ave      137122 max      137122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137122
Ave neighs/atom = 68.561000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.863651073803, Press = -0.106460266560737
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8046.8098   -8046.8098   -8124.8874   -8124.8874    302.16845    302.16845    23584.297    23584.297    1924.5932    1924.5932 
  170000   -8051.8837   -8051.8837   -8127.5916   -8127.5916    292.99755    292.99755    23602.086    23602.086   -51.711463   -51.711463 
Loop time of 41.697 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.072 ns/day, 11.582 hours/ns, 23.983 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    | 41.123     | 41.123     | 41.123     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12716    | 0.12716    | 0.12716    |   0.0 |  0.30
Output  | 0.00019357 | 0.00019357 | 0.00019357 |   0.0 |  0.00
Modify  | 0.37919    | 0.37919    | 0.37919    |   0.0 |  0.91
Other   |            | 0.06734    |            |       |  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:        137117.0 ave      137117 max      137117 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137117
Ave neighs/atom = 68.558500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.876365923088, Press = -0.156760387405286
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.8837   -8051.8837   -8127.5916   -8127.5916    292.99755    292.99755    23602.086    23602.086   -51.711463   -51.711463 
  171000   -8047.7736   -8047.7736   -8125.7288   -8125.7288    301.69474    301.69474    23611.716    23611.716   -603.19995   -603.19995 
Loop time of 41.4341 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.085 ns/day, 11.509 hours/ns, 24.135 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    | 40.866     | 40.866     | 40.866     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12606    | 0.12606    | 0.12606    |   0.0 |  0.30
Output  | 0.00016927 | 0.00016927 | 0.00016927 |   0.0 |  0.00
Modify  | 0.37531    | 0.37531    | 0.37531    |   0.0 |  0.91
Other   |            | 0.06611    |            |       |  0.16

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:        137018.0 ave      137018 max      137018 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137018
Ave neighs/atom = 68.509000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.882404008833, Press = 0.0677490574328729
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.7736   -8047.7736   -8125.7288   -8125.7288    301.69474    301.69474    23611.716    23611.716   -603.19995   -603.19995 
  172000   -8050.8536   -8050.8536   -8125.8918   -8125.8918    290.40554    290.40554    23608.914    23608.914   -519.49352   -519.49352 
Loop time of 41.8963 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.062 ns/day, 11.638 hours/ns, 23.868 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    | 41.318     | 41.318     | 41.318     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12708    | 0.12708    | 0.12708    |   0.0 |  0.30
Output  | 0.0002606  | 0.0002606  | 0.0002606  |   0.0 |  0.00
Modify  | 0.38333    | 0.38333    | 0.38333    |   0.0 |  0.91
Other   |            | 0.06794    |            |       |  0.16

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:        136958.0 ave      136958 max      136958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136958
Ave neighs/atom = 68.479000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.885526451244, Press = 0.0979896150132478
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.8536   -8050.8536   -8125.8918   -8125.8918    290.40554    290.40554    23608.914    23608.914   -519.49352   -519.49352 
  173000   -8050.5008   -8050.5008   -8125.9413   -8125.9413    291.96268    291.96268    23610.089    23610.089   -653.20111   -653.20111 
Loop time of 41.4909 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.082 ns/day, 11.525 hours/ns, 24.102 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    | 40.923     | 40.923     | 40.923     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12611    | 0.12611    | 0.12611    |   0.0 |  0.30
Output  | 0.00015663 | 0.00015663 | 0.00015663 |   0.0 |  0.00
Modify  | 0.37505    | 0.37505    | 0.37505    |   0.0 |  0.90
Other   |            | 0.06695    |            |       |  0.16

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:        137018.0 ave      137018 max      137018 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137018
Ave neighs/atom = 68.509000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.904200213424, Press = 0.105654427218691
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.5008   -8050.5008   -8125.9413   -8125.9413    291.96268    291.96268    23610.089    23610.089   -653.20111   -653.20111 
  174000   -8047.6528   -8047.6528   -8125.3969   -8125.3969    300.87758    300.87758    23601.622    23601.622    304.53976    304.53976 
Loop time of 40.087 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.155 ns/day, 11.135 hours/ns, 24.946 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    | 39.539     | 39.539     | 39.539     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12331    | 0.12331    | 0.12331    |   0.0 |  0.31
Output  | 0.00015516 | 0.00015516 | 0.00015516 |   0.0 |  0.00
Modify  | 0.35863    | 0.35863    | 0.35863    |   0.0 |  0.89
Other   |            | 0.06583    |            |       |  0.16

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:        137039.0 ave      137039 max      137039 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137039
Ave neighs/atom = 68.519500
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 = 292.9124734282, Press = 0.338299900549914
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.6528   -8047.6528   -8125.3969   -8125.3969    300.87758    300.87758    23601.622    23601.622    304.53976    304.53976 
  175000   -8051.9814   -8051.9814   -8127.7709   -8127.7709    293.31327    293.31327    23581.819    23581.819    1951.1078    1951.1078 
Loop time of 40.2904 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.144 ns/day, 11.192 hours/ns, 24.820 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    | 39.741     | 39.741     | 39.741     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12309    | 0.12309    | 0.12309    |   0.0 |  0.31
Output  | 0.0001544  | 0.0001544  | 0.0001544  |   0.0 |  0.00
Modify  | 0.36019    | 0.36019    | 0.36019    |   0.0 |  0.89
Other   |            | 0.06572    |            |       |  0.16

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:        137088.0 ave      137088 max      137088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137088
Ave neighs/atom = 68.544000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.923576828733, Press = 0.23986378890055
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.9814   -8051.9814   -8127.7709   -8127.7709    293.31327    293.31327    23581.819    23581.819    1951.1078    1951.1078 
  176000   -8050.5988   -8050.5988   -8126.6045   -8126.6045    294.15012    294.15012    23574.396    23574.396    2750.4463    2750.4463 
Loop time of 40.8239 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.116 ns/day, 11.340 hours/ns, 24.495 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.267     | 40.267     | 40.267     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12355    | 0.12355    | 0.12355    |   0.0 |  0.30
Output  | 0.00019997 | 0.00019997 | 0.00019997 |   0.0 |  0.00
Modify  | 0.36731    | 0.36731    | 0.36731    |   0.0 |  0.90
Other   |            | 0.06601    |            |       |  0.16

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:        137055.0 ave      137055 max      137055 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137055
Ave neighs/atom = 68.527500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.925079904536, Press = 0.0604900248600556
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.5988   -8050.5988   -8126.6045   -8126.6045    294.15012    294.15012    23574.396    23574.396    2750.4463    2750.4463 
  177000     -8049.12     -8049.12   -8127.1787   -8127.1787    302.09522    302.09522    23583.146    23583.146    1877.6611    1877.6611 
Loop time of 40.354 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.141 ns/day, 11.209 hours/ns, 24.781 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.805     | 39.805     | 39.805     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1228     | 0.1228     | 0.1228     |   0.0 |  0.30
Output  | 0.00016276 | 0.00016276 | 0.00016276 |   0.0 |  0.00
Modify  | 0.36033    | 0.36033    | 0.36033    |   0.0 |  0.89
Other   |            | 0.06619    |            |       |  0.16

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:        137056.0 ave      137056 max      137056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137056
Ave neighs/atom = 68.528000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.921303932657, Press = -0.255140774826761
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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     -8049.12     -8049.12   -8127.1787   -8127.1787    302.09522    302.09522    23583.146    23583.146    1877.6611    1877.6611 
  178000   -8051.6201   -8051.6201   -8127.3139   -8127.3139    292.94288    292.94288     23609.12     23609.12   -533.00863   -533.00863 
Loop time of 40.4652 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.135 ns/day, 11.240 hours/ns, 24.713 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.913     | 39.913     | 39.913     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12306    | 0.12306    | 0.12306    |   0.0 |  0.30
Output  | 0.00015638 | 0.00015638 | 0.00015638 |   0.0 |  0.00
Modify  | 0.36258    | 0.36258    | 0.36258    |   0.0 |  0.90
Other   |            | 0.06606    |            |       |  0.16

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:        137033.0 ave      137033 max      137033 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137033
Ave neighs/atom = 68.516500
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 = 292.928455773871, Press = -0.421787406126511
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8051.6201   -8051.6201   -8127.3139   -8127.3139    292.94288    292.94288     23609.12     23609.12   -533.00863   -533.00863 
  179000   -8048.2802   -8048.2802   -8125.2531   -8125.2531    297.89293    297.89293     23630.93     23630.93   -2318.4933   -2318.4933 
Loop time of 41.0549 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.104 ns/day, 11.404 hours/ns, 24.358 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.493     | 40.493     | 40.493     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12472    | 0.12472    | 0.12472    |   0.0 |  0.30
Output  | 0.00015538 | 0.00015538 | 0.00015538 |   0.0 |  0.00
Modify  | 0.37064    | 0.37064    | 0.37064    |   0.0 |  0.90
Other   |            | 0.06598    |            |       |  0.16

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:        137015.0 ave      137015 max      137015 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137015
Ave neighs/atom = 68.507500
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 = 292.93576352843, Press = -0.157886665854221
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8048.2802   -8048.2802   -8125.2531   -8125.2531    297.89293    297.89293     23630.93     23630.93   -2318.4933   -2318.4933 
  180000   -8050.4666   -8050.4666   -8125.6805   -8125.6805    291.08538    291.08538    23620.735    23620.735    -1463.453    -1463.453 
Loop time of 41.8241 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.066 ns/day, 11.618 hours/ns, 23.910 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.249     | 41.249     | 41.249     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12702    | 0.12702    | 0.12702    |   0.0 |  0.30
Output  | 0.0001564  | 0.0001564  | 0.0001564  |   0.0 |  0.00
Modify  | 0.38112    | 0.38112    | 0.38112    |   0.0 |  0.91
Other   |            | 0.06636    |            |       |  0.16

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:        136962.0 ave      136962 max      136962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136962
Ave neighs/atom = 68.481000
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 = 292.93843802132, Press = 0.0796753055331787
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8050.4666   -8050.4666   -8125.6805   -8125.6805    291.08538    291.08538    23620.735    23620.735    -1463.453    -1463.453 
  181000   -8049.0035   -8049.0035   -8124.9766   -8124.9766    294.02383    294.02383    23611.878    23611.878   -634.72249   -634.72249 
Loop time of 40.2355 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.147 ns/day, 11.177 hours/ns, 24.854 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    | 39.69      | 39.69      | 39.69      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12188    | 0.12188    | 0.12188    |   0.0 |  0.30
Output  | 0.00015386 | 0.00015386 | 0.00015386 |   0.0 |  0.00
Modify  | 0.35772    | 0.35772    | 0.35772    |   0.0 |  0.89
Other   |            | 0.06598    |            |       |  0.16

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:        136964.0 ave      136964 max      136964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136964
Ave neighs/atom = 68.482000
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 = 292.941379585224, Press = 0.17188246578428
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.0035   -8049.0035   -8124.9766   -8124.9766    294.02383    294.02383    23611.878    23611.878   -634.72249   -634.72249 
  182000   -8052.8186   -8052.8186   -8128.0418   -8128.0418    291.12148    291.12148    23600.739    23600.739    122.80396    122.80396 
Loop time of 41.6792 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.073 ns/day, 11.578 hours/ns, 23.993 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    | 41.109     | 41.109     | 41.109     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1265     | 0.1265     | 0.1265     |   0.0 |  0.30
Output  | 0.00024661 | 0.00024661 | 0.00024661 |   0.0 |  0.00
Modify  | 0.37804    | 0.37804    | 0.37804    |   0.0 |  0.91
Other   |            | 0.06575    |            |       |  0.16

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:        137084.0 ave      137084 max      137084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137084
Ave neighs/atom = 68.542000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.939748879627, Press = 0.260534534748822
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8052.8186   -8052.8186   -8128.0418   -8128.0418    291.12148    291.12148    23600.739    23600.739    122.80396    122.80396 
  183000    -8050.059    -8050.059   -8125.8684   -8125.8684    293.39025    293.39025    23572.806    23572.806    2794.8682    2794.8682 
Loop time of 41.3917 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.498 hours/ns, 24.159 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    | 40.826     | 40.826     | 40.826     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12506    | 0.12506    | 0.12506    |   0.0 |  0.30
Output  | 0.00015626 | 0.00015626 | 0.00015626 |   0.0 |  0.00
Modify  | 0.37483    | 0.37483    | 0.37483    |   0.0 |  0.91
Other   |            | 0.06541    |            |       |  0.16

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:        136993.0 ave      136993 max      136993 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136993
Ave neighs/atom = 68.496500
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 = 292.94093937512, Press = 0.339368185931507
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8050.059    -8050.059   -8125.8684   -8125.8684    293.39025    293.39025    23572.806    23572.806    2794.8682    2794.8682 
  184000   -8049.0863   -8049.0863   -8125.8582   -8125.8582    297.11505    297.11505     23556.16     23556.16    4505.6124    4505.6124 
Loop time of 40.8151 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.117 ns/day, 11.338 hours/ns, 24.501 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.257     | 40.257     | 40.257     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12491    | 0.12491    | 0.12491    |   0.0 |  0.31
Output  | 0.00015549 | 0.00015549 | 0.00015549 |   0.0 |  0.00
Modify  | 0.36717    | 0.36717    | 0.36717    |   0.0 |  0.90
Other   |            | 0.06593    |            |       |  0.16

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:        137088.0 ave      137088 max      137088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137088
Ave neighs/atom = 68.544000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.943451145527, Press = 0.0264904197738641
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8049.0863   -8049.0863   -8125.8582   -8125.8582    297.11505    297.11505     23556.16     23556.16    4505.6124    4505.6124 
  185000   -8047.9109   -8047.9109   -8125.5788   -8125.5788    300.58285    300.58285    23585.499    23585.499     1791.165     1791.165 
Loop time of 41.6321 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.075 ns/day, 11.564 hours/ns, 24.020 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    | 41.063     | 41.063     | 41.063     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12685    | 0.12685    | 0.12685    |   0.0 |  0.30
Output  | 0.00015443 | 0.00015443 | 0.00015443 |   0.0 |  0.00
Modify  | 0.37577    | 0.37577    | 0.37577    |   0.0 |  0.90
Other   |            | 0.06641    |            |       |  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:        137145.0 ave      137145 max      137145 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137145
Ave neighs/atom = 68.572500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.952595843431, Press = -0.205527566779489
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8047.9109   -8047.9109   -8125.5788   -8125.5788    300.58285    300.58285    23585.499    23585.499     1791.165     1791.165 
  186000   -8051.9839   -8051.9839   -8126.7219   -8126.7219    289.24352    289.24352    23606.957    23606.957    -346.7015    -346.7015 
Loop time of 40.8062 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.117 ns/day, 11.335 hours/ns, 24.506 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    | 40.251     | 40.251     | 40.251     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12378    | 0.12378    | 0.12378    |   0.0 |  0.30
Output  | 0.00015233 | 0.00015233 | 0.00015233 |   0.0 |  0.00
Modify  | 0.36588    | 0.36588    | 0.36588    |   0.0 |  0.90
Other   |            | 0.06588    |            |       |  0.16

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:        137043.0 ave      137043 max      137043 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137043
Ave neighs/atom = 68.521500
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"
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_T293.15.out"  else  "print 'not_converged'  file output/vol_T293.15.out"
print '${V}'  file output/vol_T293.15.out
23603.879957682

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0