# 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 = 0.002 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-XXXXXXwhgQ20/FeCrW_d.eam.alloy Cr
pair_coeff * * eam/fs /tmp/kim-shared-library-parameter-file-directory-XXXXXXwhgQ20/FeCrW_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_699257350704_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 40.6723 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.124 ns/day, 11.298 hours/ns, 24.587 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    | 40.126     | 40.126     | 40.126     |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12779    | 0.12779    | 0.12779    |   0.0 |  0.31
Output  | 0.00019818 | 0.00019818 | 0.00019818 |   0.0 |  0.00
Modify  | 0.35365    | 0.35365    | 0.35365    |   0.0 |  0.87
Other   |            | 0.06469    |            |       |  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 40.5822 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.129 ns/day, 11.273 hours/ns, 24.641 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    | 40.05      | 40.05      | 40.05      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12542    | 0.12542    | 0.12542    |   0.0 |  0.31
Output  | 0.00019018 | 0.00019018 | 0.00019018 |   0.0 |  0.00
Modify  | 0.34239    | 0.34239    | 0.34239    |   0.0 |  0.84
Other   |            | 0.06471    |            |       |  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 41.169 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.099 ns/day, 11.436 hours/ns, 24.290 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    | 40.624     | 40.624     | 40.624     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12746    | 0.12746    | 0.12746    |   0.0 |  0.31
Output  | 0.00019085 | 0.00019085 | 0.00019085 |   0.0 |  0.00
Modify  | 0.35266    | 0.35266    | 0.35266    |   0.0 |  0.86
Other   |            | 0.06497    |            |       |  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 41.515 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.081 ns/day, 11.532 hours/ns, 24.088 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    | 40.968     | 40.968     | 40.968     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1275     | 0.1275     | 0.1275     |   0.0 |  0.31
Output  | 0.00018755 | 0.00018755 | 0.00018755 |   0.0 |  0.00
Modify  | 0.35472    | 0.35472    | 0.35472    |   0.0 |  0.85
Other   |            | 0.06486    |            |       |  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 42.2755 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.044 ns/day, 11.743 hours/ns, 23.654 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    | 41.713     | 41.713     | 41.713     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12967    | 0.12967    | 0.12967    |   0.0 |  0.31
Output  | 0.00015329 | 0.00015329 | 0.00015329 |   0.0 |  0.00
Modify  | 0.36667    | 0.36667    | 0.36667    |   0.0 |  0.87
Other   |            | 0.06595    |            |       |  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 41.3796 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.494 hours/ns, 24.166 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    | 40.817     | 40.817     | 40.817     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12639    | 0.12639    | 0.12639    |   0.0 |  0.31
Output  | 0.0001869  | 0.0001869  | 0.0001869  |   0.0 |  0.00
Modify  | 0.37119    | 0.37119    | 0.37119    |   0.0 |  0.90
Other   |            | 0.06519    |            |       |  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 42.8003 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.019 ns/day, 11.889 hours/ns, 23.364 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.215     | 42.215     | 42.215     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13169    | 0.13169    | 0.13169    |   0.0 |  0.31
Output  | 0.00020649 | 0.00020649 | 0.00020649 |   0.0 |  0.00
Modify  | 0.38758    | 0.38758    | 0.38758    |   0.0 |  0.91
Other   |            | 0.06544    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        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 43.1168 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.977 hours/ns, 23.193 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    | 42.52      | 42.52      | 42.52      |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13467    | 0.13467    | 0.13467    |   0.0 |  0.31
Output  | 0.0001504  | 0.0001504  | 0.0001504  |   0.0 |  0.00
Modify  | 0.39518    | 0.39518    | 0.39518    |   0.0 |  0.92
Other   |            | 0.06666    |            |       |  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 42.2061 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.047 ns/day, 11.724 hours/ns, 23.693 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    | 41.627     | 41.627     | 41.627     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13032    | 0.13032    | 0.13032    |   0.0 |  0.31
Output  | 0.00015559 | 0.00015559 | 0.00015559 |   0.0 |  0.00
Modify  | 0.38301    | 0.38301    | 0.38301    |   0.0 |  0.91
Other   |            | 0.06544    |            |       |  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:        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 43.3303 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.994 ns/day, 12.036 hours/ns, 23.079 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    | 42.731     | 42.731     | 42.731     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1339     | 0.1339     | 0.1339     |   0.0 |  0.31
Output  | 0.00015572 | 0.00015572 | 0.00015572 |   0.0 |  0.00
Modify  | 0.39943    | 0.39943    | 0.39943    |   0.0 |  0.92
Other   |            | 0.0658     |            |       |  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 43.6131 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.981 ns/day, 12.115 hours/ns, 22.929 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    | 43.009     | 43.009     | 43.009     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13548    | 0.13548    | 0.13548    |   0.0 |  0.31
Output  | 0.00015361 | 0.00015361 | 0.00015361 |   0.0 |  0.00
Modify  | 0.40133    | 0.40133    | 0.40133    |   0.0 |  0.92
Other   |            | 0.06673    |            |       |  0.15

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 43.304 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.995 ns/day, 12.029 hours/ns, 23.093 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    | 42.704     | 42.704     | 42.704     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.134      | 0.134      | 0.134      |   0.0 |  0.31
Output  | 0.00015269 | 0.00015269 | 0.00015269 |   0.0 |  0.00
Modify  | 0.40031    | 0.40031    | 0.40031    |   0.0 |  0.92
Other   |            | 0.06575    |            |       |  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:        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 43.0048 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.946 hours/ns, 23.253 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    | 42.413     | 42.413     | 42.413     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13202    | 0.13202    | 0.13202    |   0.0 |  0.31
Output  | 0.00015606 | 0.00015606 | 0.00015606 |   0.0 |  0.00
Modify  | 0.39398    | 0.39398    | 0.39398    |   0.0 |  0.92
Other   |            | 0.06532    |            |       |  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:        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 43.4926 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.987 ns/day, 12.081 hours/ns, 22.992 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.892     | 42.892     | 42.892     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13472    | 0.13472    | 0.13472    |   0.0 |  0.31
Output  | 0.00015152 | 0.00015152 | 0.00015152 |   0.0 |  0.00
Modify  | 0.3998     | 0.3998     | 0.3998     |   0.0 |  0.92
Other   |            | 0.06572    |            |       |  0.15

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 42.6469 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.026 ns/day, 11.846 hours/ns, 23.448 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    | 42.064     | 42.064     | 42.064     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13037    | 0.13037    | 0.13037    |   0.0 |  0.31
Output  | 0.00019016 | 0.00019016 | 0.00019016 |   0.0 |  0.00
Modify  | 0.38694    | 0.38694    | 0.38694    |   0.0 |  0.91
Other   |            | 0.06501    |            |       |  0.15

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 43.9277 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.967 ns/day, 12.202 hours/ns, 22.765 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    | 43.321     | 43.321     | 43.321     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13588    | 0.13588    | 0.13588    |   0.0 |  0.31
Output  | 0.0001509  | 0.0001509  | 0.0001509  |   0.0 |  0.00
Modify  | 0.40529    | 0.40529    | 0.40529    |   0.0 |  0.92
Other   |            | 0.06533    |            |       |  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 43.6144 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.981 ns/day, 12.115 hours/ns, 22.928 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    | 43.011     | 43.011     | 43.011     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13469    | 0.13469    | 0.13469    |   0.0 |  0.31
Output  | 0.00015379 | 0.00015379 | 0.00015379 |   0.0 |  0.00
Modify  | 0.4021     | 0.4021     | 0.4021     |   0.0 |  0.92
Other   |            | 0.06664    |            |       |  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 42.5291 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.032 ns/day, 11.814 hours/ns, 23.513 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    | 41.945     | 41.945     | 41.945     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13071    | 0.13071    | 0.13071    |   0.0 |  0.31
Output  | 0.00015307 | 0.00015307 | 0.00015307 |   0.0 |  0.00
Modify  | 0.38771    | 0.38771    | 0.38771    |   0.0 |  0.91
Other   |            | 0.06524    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        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 41.6268 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.076 ns/day, 11.563 hours/ns, 24.023 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    | 41.059     | 41.059     | 41.059     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12825    | 0.12825    | 0.12825    |   0.0 |  0.31
Output  | 0.00018928 | 0.00018928 | 0.00018928 |   0.0 |  0.00
Modify  | 0.3745     | 0.3745     | 0.3745     |   0.0 |  0.90
Other   |            | 0.06452    |            |       |  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 41.9891 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.058 ns/day, 11.664 hours/ns, 23.816 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    | 41.413     | 41.413     | 41.413     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12979    | 0.12979    | 0.12979    |   0.0 |  0.31
Output  | 0.00019679 | 0.00019679 | 0.00019679 |   0.0 |  0.00
Modify  | 0.38075    | 0.38075    | 0.38075    |   0.0 |  0.91
Other   |            | 0.06505    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        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 42.7436 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.021 ns/day, 11.873 hours/ns, 23.395 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    | 42.154     | 42.154     | 42.154     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13232    | 0.13232    | 0.13232    |   0.0 |  0.31
Output  | 0.00022669 | 0.00022669 | 0.00022669 |   0.0 |  0.00
Modify  | 0.39051    | 0.39051    | 0.39051    |   0.0 |  0.91
Other   |            | 0.06624    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        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 42.055 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.054 ns/day, 11.682 hours/ns, 23.778 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    | 41.478     | 41.478     | 41.478     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12978    | 0.12978    | 0.12978    |   0.0 |  0.31
Output  | 0.00015336 | 0.00015336 | 0.00015336 |   0.0 |  0.00
Modify  | 0.38207    | 0.38207    | 0.38207    |   0.0 |  0.91
Other   |            | 0.06522    |            |       |  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 42.4934 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.033 ns/day, 11.804 hours/ns, 23.533 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    | 41.91      | 41.91      | 41.91      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13012    | 0.13012    | 0.13012    |   0.0 |  0.31
Output  | 0.00015573 | 0.00015573 | 0.00015573 |   0.0 |  0.00
Modify  | 0.38732    | 0.38732    | 0.38732    |   0.0 |  0.91
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:        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 41.8494 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.065 ns/day, 11.625 hours/ns, 23.895 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    | 41.284     | 41.284     | 41.284     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12836    | 0.12836    | 0.12836    |   0.0 |  0.31
Output  | 0.00015419 | 0.00015419 | 0.00015419 |   0.0 |  0.00
Modify  | 0.37182    | 0.37182    | 0.37182    |   0.0 |  0.89
Other   |            | 0.06501    |            |       |  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:        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 42.0097 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.057 ns/day, 11.669 hours/ns, 23.804 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    | 41.435     | 41.435     | 41.435     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12954    | 0.12954    | 0.12954    |   0.0 |  0.31
Output  | 0.00019693 | 0.00019693 | 0.00019693 |   0.0 |  0.00
Modify  | 0.38036    | 0.38036    | 0.38036    |   0.0 |  0.91
Other   |            | 0.06493    |            |       |  0.15

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 42.7204 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.022 ns/day, 11.867 hours/ns, 23.408 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    | 42.134     | 42.134     | 42.134     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13244    | 0.13244    | 0.13244    |   0.0 |  0.31
Output  | 0.00014913 | 0.00014913 | 0.00014913 |   0.0 |  0.00
Modify  | 0.38859    | 0.38859    | 0.38859    |   0.0 |  0.91
Other   |            | 0.06553    |            |       |  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 43.2368 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.010 hours/ns, 23.128 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    | 42.639     | 42.639     | 42.639     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13269    | 0.13269    | 0.13269    |   0.0 |  0.31
Output  | 0.00015377 | 0.00015377 | 0.00015377 |   0.0 |  0.00
Modify  | 0.39867    | 0.39867    | 0.39867    |   0.0 |  0.92
Other   |            | 0.06647    |            |       |  0.15

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 42.5427 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.031 ns/day, 11.817 hours/ns, 23.506 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    | 41.961     | 41.961     | 41.961     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13127    | 0.13127    | 0.13127    |   0.0 |  0.31
Output  | 0.00015635 | 0.00015635 | 0.00015635 |   0.0 |  0.00
Modify  | 0.38524    | 0.38524    | 0.38524    |   0.0 |  0.91
Other   |            | 0.0654     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        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 43.1439 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.003 ns/day, 11.984 hours/ns, 23.178 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    | 42.552     | 42.552     | 42.552     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13332    | 0.13332    | 0.13332    |   0.0 |  0.31
Output  | 0.00015734 | 0.00015734 | 0.00015734 |   0.0 |  0.00
Modify  | 0.39248    | 0.39248    | 0.39248    |   0.0 |  0.91
Other   |            | 0.06597    |            |       |  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:        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 42.2041 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.047 ns/day, 11.723 hours/ns, 23.694 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    | 41.627     | 41.627     | 41.627     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13073    | 0.13073    | 0.13073    |   0.0 |  0.31
Output  | 0.0001499  | 0.0001499  | 0.0001499  |   0.0 |  0.00
Modify  | 0.38091    | 0.38091    | 0.38091    |   0.0 |  0.90
Other   |            | 0.06522    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        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 42.1194 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.051 ns/day, 11.700 hours/ns, 23.742 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.542     | 41.542     | 41.542     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12957    | 0.12957    | 0.12957    |   0.0 |  0.31
Output  | 0.00015504 | 0.00015504 | 0.00015504 |   0.0 |  0.00
Modify  | 0.38224    | 0.38224    | 0.38224    |   0.0 |  0.91
Other   |            | 0.06539    |            |       |  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 42.3559 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    | 41.772     | 41.772     | 41.772     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13097    | 0.13097    | 0.13097    |   0.0 |  0.31
Output  | 0.00015408 | 0.00015408 | 0.00015408 |   0.0 |  0.00
Modify  | 0.38753    | 0.38753    | 0.38753    |   0.0 |  0.91
Other   |            | 0.06521    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        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 42.6929 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.024 ns/day, 11.859 hours/ns, 23.423 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    | 42.107     | 42.107     | 42.107     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13094    | 0.13094    | 0.13094    |   0.0 |  0.31
Output  | 0.00015618 | 0.00015618 | 0.00015618 |   0.0 |  0.00
Modify  | 0.38965    | 0.38965    | 0.38965    |   0.0 |  0.91
Other   |            | 0.0653     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        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 42.9777 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.938 hours/ns, 23.268 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    | 42.385     | 42.385     | 42.385     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13258    | 0.13258    | 0.13258    |   0.0 |  0.31
Output  | 0.00015603 | 0.00015603 | 0.00015603 |   0.0 |  0.00
Modify  | 0.39432    | 0.39432    | 0.39432    |   0.0 |  0.92
Other   |            | 0.06534    |            |       |  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 42.4388 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.036 ns/day, 11.789 hours/ns, 23.563 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    | 41.857     | 41.857     | 41.857     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13103    | 0.13103    | 0.13103    |   0.0 |  0.31
Output  | 0.00015682 | 0.00015682 | 0.00015682 |   0.0 |  0.00
Modify  | 0.38503    | 0.38503    | 0.38503    |   0.0 |  0.91
Other   |            | 0.06517    |            |       |  0.15

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 41.6394 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.075 ns/day, 11.566 hours/ns, 24.016 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.069     | 41.069     | 41.069     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12844    | 0.12844    | 0.12844    |   0.0 |  0.31
Output  | 0.00015516 | 0.00015516 | 0.00015516 |   0.0 |  0.00
Modify  | 0.3763     | 0.3763     | 0.3763     |   0.0 |  0.90
Other   |            | 0.06555    |            |       |  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 42.4188 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.037 ns/day, 11.783 hours/ns, 23.574 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    | 41.838     | 41.838     | 41.838     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13158    | 0.13158    | 0.13158    |   0.0 |  0.31
Output  | 0.0002359  | 0.0002359  | 0.0002359  |   0.0 |  0.00
Modify  | 0.3839     | 0.3839     | 0.3839     |   0.0 |  0.91
Other   |            | 0.06545    |            |       |  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:        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 42.6498 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.026 ns/day, 11.847 hours/ns, 23.447 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.062     | 42.062     | 42.062     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13166    | 0.13166    | 0.13166    |   0.0 |  0.31
Output  | 0.00015789 | 0.00015789 | 0.00015789 |   0.0 |  0.00
Modify  | 0.3899     | 0.3899     | 0.3899     |   0.0 |  0.91
Other   |            | 0.06573    |            |       |  0.15

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 42.1241 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.051 ns/day, 11.701 hours/ns, 23.739 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    | 41.546     | 41.546     | 41.546     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13028    | 0.13028    | 0.13028    |   0.0 |  0.31
Output  | 0.00015369 | 0.00015369 | 0.00015369 |   0.0 |  0.00
Modify  | 0.38246    | 0.38246    | 0.38246    |   0.0 |  0.91
Other   |            | 0.06528    |            |       |  0.15

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 42.056 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.054 ns/day, 11.682 hours/ns, 23.778 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.477     | 41.477     | 41.477     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1296     | 0.1296     | 0.1296     |   0.0 |  0.31
Output  | 0.00015081 | 0.00015081 | 0.00015081 |   0.0 |  0.00
Modify  | 0.38381    | 0.38381    | 0.38381    |   0.0 |  0.91
Other   |            | 0.06494    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        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 41.7766 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.068 ns/day, 11.605 hours/ns, 23.937 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.203     | 41.203     | 41.203     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12962    | 0.12962    | 0.12962    |   0.0 |  0.31
Output  | 0.00020302 | 0.00020302 | 0.00020302 |   0.0 |  0.00
Modify  | 0.37865    | 0.37865    | 0.37865    |   0.0 |  0.91
Other   |            | 0.06523    |            |       |  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 41.6912 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.072 ns/day, 11.581 hours/ns, 23.986 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.119     | 41.119     | 41.119     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12827    | 0.12827    | 0.12827    |   0.0 |  0.31
Output  | 0.0001577  | 0.0001577  | 0.0001577  |   0.0 |  0.00
Modify  | 0.37871    | 0.37871    | 0.37871    |   0.0 |  0.91
Other   |            | 0.06522    |            |       |  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 41.1583 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.099 ns/day, 11.433 hours/ns, 24.296 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.596     | 40.596     | 40.596     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12606    | 0.12606    | 0.12606    |   0.0 |  0.31
Output  | 0.00015748 | 0.00015748 | 0.00015748 |   0.0 |  0.00
Modify  | 0.37042    | 0.37042    | 0.37042    |   0.0 |  0.90
Other   |            | 0.06554    |            |       |  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 43.3089 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.995 ns/day, 12.030 hours/ns, 23.090 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    | 42.71      | 42.71      | 42.71      |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13434    | 0.13434    | 0.13434    |   0.0 |  0.31
Output  | 0.00015597 | 0.00015597 | 0.00015597 |   0.0 |  0.00
Modify  | 0.39827    | 0.39827    | 0.39827    |   0.0 |  0.92
Other   |            | 0.06595    |            |       |  0.15

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 42.3314 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.041 ns/day, 11.759 hours/ns, 23.623 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.748     | 41.748     | 41.748     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13127    | 0.13127    | 0.13127    |   0.0 |  0.31
Output  | 0.0001573  | 0.0001573  | 0.0001573  |   0.0 |  0.00
Modify  | 0.38649    | 0.38649    | 0.38649    |   0.0 |  0.91
Other   |            | 0.06531    |            |       |  0.15

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 40.7302 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.121 ns/day, 11.314 hours/ns, 24.552 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    | 40.178     | 40.178     | 40.178     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12478    | 0.12478    | 0.12478    |   0.0 |  0.31
Output  | 0.00015516 | 0.00015516 | 0.00015516 |   0.0 |  0.00
Modify  | 0.36295    | 0.36295    | 0.36295    |   0.0 |  0.89
Other   |            | 0.06411    |            |       |  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 40.6675 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.125 ns/day, 11.297 hours/ns, 24.590 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    | 40.115     | 40.115     | 40.115     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1248     | 0.1248     | 0.1248     |   0.0 |  0.31
Output  | 0.00015586 | 0.00015586 | 0.00015586 |   0.0 |  0.00
Modify  | 0.36403    | 0.36403    | 0.36403    |   0.0 |  0.90
Other   |            | 0.06399    |            |       |  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 42.6937 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.024 ns/day, 11.859 hours/ns, 23.423 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    | 42.103     | 42.103     | 42.103     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1326     | 0.1326     | 0.1326     |   0.0 |  0.31
Output  | 0.00014532 | 0.00014532 | 0.00014532 |   0.0 |  0.00
Modify  | 0.392      | 0.392      | 0.392      |   0.0 |  0.92
Other   |            | 0.06622    |            |       |  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 42.2429 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.045 ns/day, 11.734 hours/ns, 23.673 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    | 41.665     | 41.665     | 41.665     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12933    | 0.12933    | 0.12933    |   0.0 |  0.31
Output  | 0.00020047 | 0.00020047 | 0.00020047 |   0.0 |  0.00
Modify  | 0.38324    | 0.38324    | 0.38324    |   0.0 |  0.91
Other   |            | 0.06528    |            |       |  0.15

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 40.7681 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.119 ns/day, 11.324 hours/ns, 24.529 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    | 40.215     | 40.215     | 40.215     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12592    | 0.12592    | 0.12592    |   0.0 |  0.31
Output  | 0.00015402 | 0.00015402 | 0.00015402 |   0.0 |  0.00
Modify  | 0.36273    | 0.36273    | 0.36273    |   0.0 |  0.89
Other   |            | 0.06449    |            |       |  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 41.3471 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.090 ns/day, 11.485 hours/ns, 24.185 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    | 40.782     | 40.782     | 40.782     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12685    | 0.12685    | 0.12685    |   0.0 |  0.31
Output  | 0.00015682 | 0.00015682 | 0.00015682 |   0.0 |  0.00
Modify  | 0.37241    | 0.37241    | 0.37241    |   0.0 |  0.90
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:        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 41.6925 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.072 ns/day, 11.581 hours/ns, 23.985 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    | 41.122     | 41.122     | 41.122     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12863    | 0.12863    | 0.12863    |   0.0 |  0.31
Output  | 0.00015522 | 0.00015522 | 0.00015522 |   0.0 |  0.00
Modify  | 0.37618    | 0.37618    | 0.37618    |   0.0 |  0.90
Other   |            | 0.06565    |            |       |  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 41.3512 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.089 ns/day, 11.486 hours/ns, 24.183 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.787     | 40.787     | 40.787     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12651    | 0.12651    | 0.12651    |   0.0 |  0.31
Output  | 0.00015695 | 0.00015695 | 0.00015695 |   0.0 |  0.00
Modify  | 0.37199    | 0.37199    | 0.37199    |   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:        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 41.6335 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.075 ns/day, 11.565 hours/ns, 24.019 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.065     | 41.065     | 41.065     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12862    | 0.12862    | 0.12862    |   0.0 |  0.31
Output  | 0.00015544 | 0.00015544 | 0.00015544 |   0.0 |  0.00
Modify  | 0.37488    | 0.37488    | 0.37488    |   0.0 |  0.90
Other   |            | 0.06527    |            |       |  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 41.6903 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.072 ns/day, 11.581 hours/ns, 23.986 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.12      | 41.12      | 41.12      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12844    | 0.12844    | 0.12844    |   0.0 |  0.31
Output  | 0.00015722 | 0.00015722 | 0.00015722 |   0.0 |  0.00
Modify  | 0.37572    | 0.37572    | 0.37572    |   0.0 |  0.90
Other   |            | 0.06564    |            |       |  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 41.8575 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.064 ns/day, 11.627 hours/ns, 23.891 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.284     | 41.284     | 41.284     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12794    | 0.12794    | 0.12794    |   0.0 |  0.31
Output  | 0.00020156 | 0.00020156 | 0.00020156 |   0.0 |  0.00
Modify  | 0.38008    | 0.38008    | 0.38008    |   0.0 |  0.91
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:        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 42.139 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.050 ns/day, 11.705 hours/ns, 23.731 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    | 41.559     | 41.559     | 41.559     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13039    | 0.13039    | 0.13039    |   0.0 |  0.31
Output  | 0.00015449 | 0.00015449 | 0.00015449 |   0.0 |  0.00
Modify  | 0.38392    | 0.38392    | 0.38392    |   0.0 |  0.91
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:        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 40.7918 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.118 ns/day, 11.331 hours/ns, 24.515 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.233     | 40.233     | 40.233     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12564    | 0.12564    | 0.12564    |   0.0 |  0.31
Output  | 0.00015751 | 0.00015751 | 0.00015751 |   0.0 |  0.00
Modify  | 0.3677     | 0.3677     | 0.3677     |   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:        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 40.6982 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    | 40.142     | 40.142     | 40.142     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12604    | 0.12604    | 0.12604    |   0.0 |  0.31
Output  | 0.00015306 | 0.00015306 | 0.00015306 |   0.0 |  0.00
Modify  | 0.3649     | 0.3649     | 0.3649     |   0.0 |  0.90
Other   |            | 0.06471    |            |       |  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 42.0222 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.056 ns/day, 11.673 hours/ns, 23.797 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    | 41.444     | 41.444     | 41.444     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12877    | 0.12877    | 0.12877    |   0.0 |  0.31
Output  | 0.00015501 | 0.00015501 | 0.00015501 |   0.0 |  0.00
Modify  | 0.38279    | 0.38279    | 0.38279    |   0.0 |  0.91
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:        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 42.2295 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.046 ns/day, 11.730 hours/ns, 23.680 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.647     | 41.647     | 41.647     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13086    | 0.13086    | 0.13086    |   0.0 |  0.31
Output  | 0.00015427 | 0.00015427 | 0.00015427 |   0.0 |  0.00
Modify  | 0.38541    | 0.38541    | 0.38541    |   0.0 |  0.91
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:        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 41.5469 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.080 ns/day, 11.541 hours/ns, 24.069 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    | 40.977     | 40.977     | 40.977     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12886    | 0.12886    | 0.12886    |   0.0 |  0.31
Output  | 0.00015522 | 0.00015522 | 0.00015522 |   0.0 |  0.00
Modify  | 0.37491    | 0.37491    | 0.37491    |   0.0 |  0.90
Other   |            | 0.06569    |            |       |  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 41.4259 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.086 ns/day, 11.507 hours/ns, 24.139 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.855     | 40.855     | 40.855     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12853    | 0.12853    | 0.12853    |   0.0 |  0.31
Output  | 0.00015451 | 0.00015451 | 0.00015451 |   0.0 |  0.00
Modify  | 0.37704    | 0.37704    | 0.37704    |   0.0 |  0.91
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:        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 41.0514 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.105 ns/day, 11.403 hours/ns, 24.360 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.493     | 40.493     | 40.493     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12655    | 0.12655    | 0.12655    |   0.0 |  0.31
Output  | 0.00015415 | 0.00015415 | 0.00015415 |   0.0 |  0.00
Modify  | 0.36665    | 0.36665    | 0.36665    |   0.0 |  0.89
Other   |            | 0.06498    |            |       |  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 40.9241 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.111 ns/day, 11.368 hours/ns, 24.435 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.365     | 40.365     | 40.365     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12678    | 0.12678    | 0.12678    |   0.0 |  0.31
Output  | 0.00015532 | 0.00015532 | 0.00015532 |   0.0 |  0.00
Modify  | 0.36739    | 0.36739    | 0.36739    |   0.0 |  0.90
Other   |            | 0.06462    |            |       |  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 41.7758 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.068 ns/day, 11.604 hours/ns, 23.937 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    | 41.203     | 41.203     | 41.203     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12909    | 0.12909    | 0.12909    |   0.0 |  0.31
Output  | 0.00019956 | 0.00019956 | 0.00019956 |   0.0 |  0.00
Modify  | 0.37734    | 0.37734    | 0.37734    |   0.0 |  0.90
Other   |            | 0.06579    |            |       |  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 41.2939 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.092 ns/day, 11.471 hours/ns, 24.217 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.729     | 40.729     | 40.729     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12887    | 0.12887    | 0.12887    |   0.0 |  0.31
Output  | 0.00019217 | 0.00019217 | 0.00019217 |   0.0 |  0.00
Modify  | 0.37092    | 0.37092    | 0.37092    |   0.0 |  0.90
Other   |            | 0.06502    |            |       |  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 41.0735 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.104 ns/day, 11.409 hours/ns, 24.347 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.511     | 40.511     | 40.511     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12704    | 0.12704    | 0.12704    |   0.0 |  0.31
Output  | 0.00019425 | 0.00019425 | 0.00019425 |   0.0 |  0.00
Modify  | 0.36968    | 0.36968    | 0.36968    |   0.0 |  0.90
Other   |            | 0.06569    |            |       |  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 40.7697 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.119 ns/day, 11.325 hours/ns, 24.528 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.212     | 40.212     | 40.212     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.126      | 0.126      | 0.126      |   0.0 |  0.31
Output  | 0.00015494 | 0.00015494 | 0.00015494 |   0.0 |  0.00
Modify  | 0.36657    | 0.36657    | 0.36657    |   0.0 |  0.90
Other   |            | 0.06481    |            |       |  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 40.9772 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.383 hours/ns, 24.404 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    | 40.415     | 40.415     | 40.415     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12684    | 0.12684    | 0.12684    |   0.0 |  0.31
Output  | 0.00024618 | 0.00024618 | 0.00024618 |   0.0 |  0.00
Modify  | 0.3694     | 0.3694     | 0.3694     |   0.0 |  0.90
Other   |            | 0.06533    |            |       |  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 41.3154 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.091 ns/day, 11.476 hours/ns, 24.204 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.751     | 40.751     | 40.751     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12687    | 0.12687    | 0.12687    |   0.0 |  0.31
Output  | 0.00015419 | 0.00015419 | 0.00015419 |   0.0 |  0.00
Modify  | 0.37191    | 0.37191    | 0.37191    |   0.0 |  0.90
Other   |            | 0.0652     |            |       |  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 41.8689 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.064 ns/day, 11.630 hours/ns, 23.884 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    | 41.292     | 41.292     | 41.292     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12946    | 0.12946    | 0.12946    |   0.0 |  0.31
Output  | 0.00015629 | 0.00015629 | 0.00015629 |   0.0 |  0.00
Modify  | 0.38115    | 0.38115    | 0.38115    |   0.0 |  0.91
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:        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 41.1903 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.098 ns/day, 11.442 hours/ns, 24.278 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.63      | 40.63      | 40.63      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12699    | 0.12699    | 0.12699    |   0.0 |  0.31
Output  | 0.00015451 | 0.00015451 | 0.00015451 |   0.0 |  0.00
Modify  | 0.36825    | 0.36825    | 0.36825    |   0.0 |  0.89
Other   |            | 0.06502    |            |       |  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 40.8075 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.117 ns/day, 11.335 hours/ns, 24.505 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.249     | 40.249     | 40.249     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1257     | 0.1257     | 0.1257     |   0.0 |  0.31
Output  | 0.00019235 | 0.00019235 | 0.00019235 |   0.0 |  0.00
Modify  | 0.3672     | 0.3672     | 0.3672     |   0.0 |  0.90
Other   |            | 0.06538    |            |       |  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 40.3059 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.144 ns/day, 11.196 hours/ns, 24.810 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.756     | 39.756     | 39.756     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1246     | 0.1246     | 0.1246     |   0.0 |  0.31
Output  | 0.00015721 | 0.00015721 | 0.00015721 |   0.0 |  0.00
Modify  | 0.36006    | 0.36006    | 0.36006    |   0.0 |  0.89
Other   |            | 0.06489    |            |       |  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 40.5961 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.128 ns/day, 11.277 hours/ns, 24.633 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    | 40.042     | 40.042     | 40.042     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1255     | 0.1255     | 0.1255     |   0.0 |  0.31
Output  | 0.00015591 | 0.00015591 | 0.00015591 |   0.0 |  0.00
Modify  | 0.36352    | 0.36352    | 0.36352    |   0.0 |  0.90
Other   |            | 0.06472    |            |       |  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 41.5929 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.077 ns/day, 11.554 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    | 41.02      | 41.02      | 41.02      |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1295     | 0.1295     | 0.1295     |   0.0 |  0.31
Output  | 0.00015503 | 0.00015503 | 0.00015503 |   0.0 |  0.00
Modify  | 0.37751    | 0.37751    | 0.37751    |   0.0 |  0.91
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:        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 40.7251 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.122 ns/day, 11.313 hours/ns, 24.555 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    | 40.17      | 40.17      | 40.17      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12645    | 0.12645    | 0.12645    |   0.0 |  0.31
Output  | 0.00015861 | 0.00015861 | 0.00015861 |   0.0 |  0.00
Modify  | 0.36443    | 0.36443    | 0.36443    |   0.0 |  0.89
Other   |            | 0.06425    |            |       |  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 41.042 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    | 40.482     | 40.482     | 40.482     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12689    | 0.12689    | 0.12689    |   0.0 |  0.31
Output  | 0.00015527 | 0.00015527 | 0.00015527 |   0.0 |  0.00
Modify  | 0.36812    | 0.36812    | 0.36812    |   0.0 |  0.90
Other   |            | 0.06463    |            |       |  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 40.7321 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.121 ns/day, 11.314 hours/ns, 24.551 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.178     | 40.178     | 40.178     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12578    | 0.12578    | 0.12578    |   0.0 |  0.31
Output  | 0.00019273 | 0.00019273 | 0.00019273 |   0.0 |  0.00
Modify  | 0.36268    | 0.36268    | 0.36268    |   0.0 |  0.89
Other   |            | 0.06523    |            |       |  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 40.7308 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.121 ns/day, 11.314 hours/ns, 24.551 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.18      | 40.18      | 40.18      |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12446    | 0.12446    | 0.12446    |   0.0 |  0.31
Output  | 0.00015139 | 0.00015139 | 0.00015139 |   0.0 |  0.00
Modify  | 0.36171    | 0.36171    | 0.36171    |   0.0 |  0.89
Other   |            | 0.06437    |            |       |  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 41.0325 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.398 hours/ns, 24.371 timesteps/s
100.0% 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 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12622    | 0.12622    | 0.12622    |   0.0 |  0.31
Output  | 0.00048655 | 0.00048655 | 0.00048655 |   0.0 |  0.00
Modify  | 0.36625    | 0.36625    | 0.36625    |   0.0 |  0.89
Other   |            | 0.06449    |            |       |  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 41.4402 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.085 ns/day, 11.511 hours/ns, 24.131 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    | 40.872     | 40.872     | 40.872     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12836    | 0.12836    | 0.12836    |   0.0 |  0.31
Output  | 0.00019318 | 0.00019318 | 0.00019318 |   0.0 |  0.00
Modify  | 0.37513    | 0.37513    | 0.37513    |   0.0 |  0.91
Other   |            | 0.06497    |            |       |  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 42.4286 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.036 ns/day, 11.786 hours/ns, 23.569 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    | 41.85      | 41.85      | 41.85      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13023    | 0.13023    | 0.13023    |   0.0 |  0.31
Output  | 0.00015672 | 0.00015672 | 0.00015672 |   0.0 |  0.00
Modify  | 0.38321    | 0.38321    | 0.38321    |   0.0 |  0.90
Other   |            | 0.06538    |            |       |  0.15

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 41.4245 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.086 ns/day, 11.507 hours/ns, 24.140 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    | 40.856     | 40.856     | 40.856     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12888    | 0.12888    | 0.12888    |   0.0 |  0.31
Output  | 0.00015657 | 0.00015657 | 0.00015657 |   0.0 |  0.00
Modify  | 0.37421    | 0.37421    | 0.37421    |   0.0 |  0.90
Other   |            | 0.0649     |            |       |  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 41.204 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.097 ns/day, 11.446 hours/ns, 24.269 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.642     | 40.642     | 40.642     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12658    | 0.12658    | 0.12658    |   0.0 |  0.31
Output  | 0.00018792 | 0.00018792 | 0.00018792 |   0.0 |  0.00
Modify  | 0.37008    | 0.37008    | 0.37008    |   0.0 |  0.90
Other   |            | 0.0647     |            |       |  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 41.1515 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.100 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    | 40.588     | 40.588     | 40.588     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1274     | 0.1274     | 0.1274     |   0.0 |  0.31
Output  | 0.00015437 | 0.00015437 | 0.00015437 |   0.0 |  0.00
Modify  | 0.37097    | 0.37097    | 0.37097    |   0.0 |  0.90
Other   |            | 0.06457    |            |       |  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 41.528 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.081 ns/day, 11.536 hours/ns, 24.080 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    | 40.957     | 40.957     | 40.957     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12896    | 0.12896    | 0.12896    |   0.0 |  0.31
Output  | 0.00015365 | 0.00015365 | 0.00015365 |   0.0 |  0.00
Modify  | 0.37604    | 0.37604    | 0.37604    |   0.0 |  0.91
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:        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 40.5471 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.131 ns/day, 11.263 hours/ns, 24.663 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.995     | 39.995     | 39.995     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12448    | 0.12448    | 0.12448    |   0.0 |  0.31
Output  | 0.00015563 | 0.00015563 | 0.00015563 |   0.0 |  0.00
Modify  | 0.36198    | 0.36198    | 0.36198    |   0.0 |  0.89
Other   |            | 0.06497    |            |       |  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 40.989 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    | 40.427     | 40.427     | 40.427     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12762    | 0.12762    | 0.12762    |   0.0 |  0.31
Output  | 0.00015374 | 0.00015374 | 0.00015374 |   0.0 |  0.00
Modify  | 0.36936    | 0.36936    | 0.36936    |   0.0 |  0.90
Other   |            | 0.06513    |            |       |  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 41.2394 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.095 ns/day, 11.455 hours/ns, 24.249 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.674     | 40.674     | 40.674     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1281     | 0.1281     | 0.1281     |   0.0 |  0.31
Output  | 0.00015393 | 0.00015393 | 0.00015393 |   0.0 |  0.00
Modify  | 0.37217    | 0.37217    | 0.37217    |   0.0 |  0.90
Other   |            | 0.0649     |            |       |  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 40.9979 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.107 ns/day, 11.388 hours/ns, 24.391 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    | 40.439     | 40.439     | 40.439     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1264     | 0.1264     | 0.1264     |   0.0 |  0.31
Output  | 0.00015506 | 0.00015506 | 0.00015506 |   0.0 |  0.00
Modify  | 0.3674     | 0.3674     | 0.3674     |   0.0 |  0.90
Other   |            | 0.06523    |            |       |  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 41.0179 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.394 hours/ns, 24.380 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.457     | 40.457     | 40.457     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12717    | 0.12717    | 0.12717    |   0.0 |  0.31
Output  | 0.00015116 | 0.00015116 | 0.00015116 |   0.0 |  0.00
Modify  | 0.3689     | 0.3689     | 0.3689     |   0.0 |  0.90
Other   |            | 0.06464    |            |       |  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 40.7565 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.120 ns/day, 11.321 hours/ns, 24.536 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    | 40.203     | 40.203     | 40.203     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12629    | 0.12629    | 0.12629    |   0.0 |  0.31
Output  | 0.00015215 | 0.00015215 | 0.00015215 |   0.0 |  0.00
Modify  | 0.36264    | 0.36264    | 0.36264    |   0.0 |  0.89
Other   |            | 0.06476    |            |       |  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 40.5846 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.129 ns/day, 11.274 hours/ns, 24.640 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.033     | 40.033     | 40.033     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12439    | 0.12439    | 0.12439    |   0.0 |  0.31
Output  | 0.00015414 | 0.00015414 | 0.00015414 |   0.0 |  0.00
Modify  | 0.36215    | 0.36215    | 0.36215    |   0.0 |  0.89
Other   |            | 0.06484    |            |       |  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 40.9925 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.387 hours/ns, 24.395 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.433     | 40.433     | 40.433     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12642    | 0.12642    | 0.12642    |   0.0 |  0.31
Output  | 0.00020073 | 0.00020073 | 0.00020073 |   0.0 |  0.00
Modify  | 0.36814    | 0.36814    | 0.36814    |   0.0 |  0.90
Other   |            | 0.06501    |            |       |  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 41.6355 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.075 ns/day, 11.565 hours/ns, 24.018 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.066     | 41.066     | 41.066     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12872    | 0.12872    | 0.12872    |   0.0 |  0.31
Output  | 0.0001557  | 0.0001557  | 0.0001557  |   0.0 |  0.00
Modify  | 0.3755     | 0.3755     | 0.3755     |   0.0 |  0.90
Other   |            | 0.06514    |            |       |  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 40.9811 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.384 hours/ns, 24.401 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    | 40.421     | 40.421     | 40.421     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12624    | 0.12624    | 0.12624    |   0.0 |  0.31
Output  | 0.00015279 | 0.00015279 | 0.00015279 |   0.0 |  0.00
Modify  | 0.36874    | 0.36874    | 0.36874    |   0.0 |  0.90
Other   |            | 0.06462    |            |       |  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 41.1567 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.099 ns/day, 11.432 hours/ns, 24.297 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    | 40.597     | 40.597     | 40.597     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12695    | 0.12695    | 0.12695    |   0.0 |  0.31
Output  | 0.00015354 | 0.00015354 | 0.00015354 |   0.0 |  0.00
Modify  | 0.36788    | 0.36788    | 0.36788    |   0.0 |  0.89
Other   |            | 0.06519    |            |       |  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 40.0122 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.159 ns/day, 11.114 hours/ns, 24.992 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.466     | 39.466     | 39.466     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12304    | 0.12304    | 0.12304    |   0.0 |  0.31
Output  | 0.00015595 | 0.00015595 | 0.00015595 |   0.0 |  0.00
Modify  | 0.35796    | 0.35796    | 0.35796    |   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:        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 40.8347 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.116 ns/day, 11.343 hours/ns, 24.489 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.279     | 40.279     | 40.279     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12455    | 0.12455    | 0.12455    |   0.0 |  0.31
Output  | 0.00015501 | 0.00015501 | 0.00015501 |   0.0 |  0.00
Modify  | 0.36599    | 0.36599    | 0.36599    |   0.0 |  0.90
Other   |            | 0.06517    |            |       |  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 40.6677 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.125 ns/day, 11.297 hours/ns, 24.590 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.112     | 40.112     | 40.112     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12556    | 0.12556    | 0.12556    |   0.0 |  0.31
Output  | 0.00015405 | 0.00015405 | 0.00015405 |   0.0 |  0.00
Modify  | 0.365      | 0.365      | 0.365      |   0.0 |  0.90
Other   |            | 0.06491    |            |       |  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 40.1694 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    | 39.622     | 39.622     | 39.622     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12446    | 0.12446    | 0.12446    |   0.0 |  0.31
Output  | 0.00015386 | 0.00015386 | 0.00015386 |   0.0 |  0.00
Modify  | 0.35838    | 0.35838    | 0.35838    |   0.0 |  0.89
Other   |            | 0.06448    |            |       |  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 41.2979 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.092 ns/day, 11.472 hours/ns, 24.214 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    | 40.732     | 40.732     | 40.732     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12767    | 0.12767    | 0.12767    |   0.0 |  0.31
Output  | 0.00020444 | 0.00020444 | 0.00020444 |   0.0 |  0.00
Modify  | 0.37235    | 0.37235    | 0.37235    |   0.0 |  0.90
Other   |            | 0.06546    |            |       |  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 41.4762 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.083 ns/day, 11.521 hours/ns, 24.110 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    | 40.906     | 40.906     | 40.906     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12783    | 0.12783    | 0.12783    |   0.0 |  0.31
Output  | 0.00023611 | 0.00023611 | 0.00023611 |   0.0 |  0.00
Modify  | 0.37635    | 0.37635    | 0.37635    |   0.0 |  0.91
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:        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 41.7379 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.070 ns/day, 11.594 hours/ns, 23.959 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.164     | 41.164     | 41.164     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12899    | 0.12899    | 0.12899    |   0.0 |  0.31
Output  | 0.00015397 | 0.00015397 | 0.00015397 |   0.0 |  0.00
Modify  | 0.37897    | 0.37897    | 0.37897    |   0.0 |  0.91
Other   |            | 0.06545    |            |       |  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 40.7416 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.121 ns/day, 11.317 hours/ns, 24.545 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.184     | 40.184     | 40.184     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12626    | 0.12626    | 0.12626    |   0.0 |  0.31
Output  | 0.00020585 | 0.00020585 | 0.00020585 |   0.0 |  0.00
Modify  | 0.3655     | 0.3655     | 0.3655     |   0.0 |  0.90
Other   |            | 0.06547    |            |       |  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 40.9409 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.110 ns/day, 11.372 hours/ns, 24.425 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    | 40.379     | 40.379     | 40.379     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12614    | 0.12614    | 0.12614    |   0.0 |  0.31
Output  | 0.00019937 | 0.00019937 | 0.00019937 |   0.0 |  0.00
Modify  | 0.37038    | 0.37038    | 0.37038    |   0.0 |  0.90
Other   |            | 0.06525    |            |       |  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 40.9956 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.388 hours/ns, 24.393 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.434     | 40.434     | 40.434     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12597    | 0.12597    | 0.12597    |   0.0 |  0.31
Output  | 0.00015532 | 0.00015532 | 0.00015532 |   0.0 |  0.00
Modify  | 0.36937    | 0.36937    | 0.36937    |   0.0 |  0.90
Other   |            | 0.06595    |            |       |  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 40.7837 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.118 ns/day, 11.329 hours/ns, 24.520 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.227     | 40.227     | 40.227     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12672    | 0.12672    | 0.12672    |   0.0 |  0.31
Output  | 0.00015676 | 0.00015676 | 0.00015676 |   0.0 |  0.00
Modify  | 0.36554    | 0.36554    | 0.36554    |   0.0 |  0.90
Other   |            | 0.06445    |            |       |  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 41.1667 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.099 ns/day, 11.435 hours/ns, 24.291 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.604     | 40.604     | 40.604     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12647    | 0.12647    | 0.12647    |   0.0 |  0.31
Output  | 0.00049681 | 0.00049681 | 0.00049681 |   0.0 |  0.00
Modify  | 0.37006    | 0.37006    | 0.37006    |   0.0 |  0.90
Other   |            | 0.06559    |            |       |  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 40.8214 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.117 ns/day, 11.339 hours/ns, 24.497 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.264     | 40.264     | 40.264     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12534    | 0.12534    | 0.12534    |   0.0 |  0.31
Output  | 0.00015829 | 0.00015829 | 0.00015829 |   0.0 |  0.00
Modify  | 0.36619    | 0.36619    | 0.36619    |   0.0 |  0.90
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:        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 41.5971 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.077 ns/day, 11.555 hours/ns, 24.040 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.024     | 41.024     | 41.024     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12903    | 0.12903    | 0.12903    |   0.0 |  0.31
Output  | 0.00015565 | 0.00015565 | 0.00015565 |   0.0 |  0.00
Modify  | 0.3776     | 0.3776     | 0.3776     |   0.0 |  0.91
Other   |            | 0.0659     |            |       |  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 41.724 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.071 ns/day, 11.590 hours/ns, 23.967 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.154     | 41.154     | 41.154     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12746    | 0.12746    | 0.12746    |   0.0 |  0.31
Output  | 0.00015562 | 0.00015562 | 0.00015562 |   0.0 |  0.00
Modify  | 0.37627    | 0.37627    | 0.37627    |   0.0 |  0.90
Other   |            | 0.06576    |            |       |  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 40.1525 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.152 ns/day, 11.153 hours/ns, 24.905 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.604     | 39.604     | 39.604     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12368    | 0.12368    | 0.12368    |   0.0 |  0.31
Output  | 0.00015336 | 0.00015336 | 0.00015336 |   0.0 |  0.00
Modify  | 0.3595     | 0.3595     | 0.3595     |   0.0 |  0.90
Other   |            | 0.06546    |            |       |  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 41.0765 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.410 hours/ns, 24.345 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.514     | 40.514     | 40.514     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12719    | 0.12719    | 0.12719    |   0.0 |  0.31
Output  | 0.00015344 | 0.00015344 | 0.00015344 |   0.0 |  0.00
Modify  | 0.37024    | 0.37024    | 0.37024    |   0.0 |  0.90
Other   |            | 0.06464    |            |       |  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 40.4998 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    | 39.949     | 39.949     | 39.949     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12389    | 0.12389    | 0.12389    |   0.0 |  0.31
Output  | 0.00015542 | 0.00015542 | 0.00015542 |   0.0 |  0.00
Modify  | 0.36123    | 0.36123    | 0.36123    |   0.0 |  0.89
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:        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 40.766 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.119 ns/day, 11.324 hours/ns, 24.530 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.207     | 40.207     | 40.207     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12558    | 0.12558    | 0.12558    |   0.0 |  0.31
Output  | 0.00015369 | 0.00015369 | 0.00015369 |   0.0 |  0.00
Modify  | 0.36763    | 0.36763    | 0.36763    |   0.0 |  0.90
Other   |            | 0.06567    |            |       |  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 41.3211 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.091 ns/day, 11.478 hours/ns, 24.201 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.756     | 40.756     | 40.756     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12671    | 0.12671    | 0.12671    |   0.0 |  0.31
Output  | 0.00015421 | 0.00015421 | 0.00015421 |   0.0 |  0.00
Modify  | 0.37245    | 0.37245    | 0.37245    |   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:        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 40.1277 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.153 ns/day, 11.147 hours/ns, 24.920 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.581     | 39.581     | 39.581     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12378    | 0.12378    | 0.12378    |   0.0 |  0.31
Output  | 0.00020208 | 0.00020208 | 0.00020208 |   0.0 |  0.00
Modify  | 0.35697    | 0.35697    | 0.35697    |   0.0 |  0.89
Other   |            | 0.06534    |            |       |  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 41.2818 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.467 hours/ns, 24.224 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.716     | 40.716     | 40.716     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12784    | 0.12784    | 0.12784    |   0.0 |  0.31
Output  | 0.00015409 | 0.00015409 | 0.00015409 |   0.0 |  0.00
Modify  | 0.37205    | 0.37205    | 0.37205    |   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:        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 41.7219 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.071 ns/day, 11.589 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    | 41.15      | 41.15      | 41.15      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12935    | 0.12935    | 0.12935    |   0.0 |  0.31
Output  | 0.00015151 | 0.00015151 | 0.00015151 |   0.0 |  0.00
Modify  | 0.37762    | 0.37762    | 0.37762    |   0.0 |  0.91
Other   |            | 0.06495    |            |       |  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 40.939 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.110 ns/day, 11.372 hours/ns, 24.427 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.377     | 40.377     | 40.377     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12703    | 0.12703    | 0.12703    |   0.0 |  0.31
Output  | 0.00019949 | 0.00019949 | 0.00019949 |   0.0 |  0.00
Modify  | 0.36963    | 0.36963    | 0.36963    |   0.0 |  0.90
Other   |            | 0.06463    |            |       |  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 40.6237 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.127 ns/day, 11.284 hours/ns, 24.616 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.072     | 40.072     | 40.072     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12445    | 0.12445    | 0.12445    |   0.0 |  0.31
Output  | 0.00015768 | 0.00015768 | 0.00015768 |   0.0 |  0.00
Modify  | 0.36235    | 0.36235    | 0.36235    |   0.0 |  0.89
Other   |            | 0.06476    |            |       |  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 40.5698 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.130 ns/day, 11.269 hours/ns, 24.649 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.015     | 40.015     | 40.015     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12548    | 0.12548    | 0.12548    |   0.0 |  0.31
Output  | 0.00015686 | 0.00015686 | 0.00015686 |   0.0 |  0.00
Modify  | 0.36436    | 0.36436    | 0.36436    |   0.0 |  0.90
Other   |            | 0.06488    |            |       |  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 41.2886 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.469 hours/ns, 24.220 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.722     | 40.722     | 40.722     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12692    | 0.12692    | 0.12692    |   0.0 |  0.31
Output  | 0.00019413 | 0.00019413 | 0.00019413 |   0.0 |  0.00
Modify  | 0.37427    | 0.37427    | 0.37427    |   0.0 |  0.91
Other   |            | 0.0652     |            |       |  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:        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 41.0752 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.410 hours/ns, 24.346 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    | 40.517     | 40.517     | 40.517     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1272     | 0.1272     | 0.1272     |   0.0 |  0.31
Output  | 0.000194   | 0.000194   | 0.000194   |   0.0 |  0.00
Modify  | 0.36628    | 0.36628    | 0.36628    |   0.0 |  0.89
Other   |            | 0.06483    |            |       |  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 41.565 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.079 ns/day, 11.546 hours/ns, 24.059 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.994     | 40.994     | 40.994     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1289     | 0.1289     | 0.1289     |   0.0 |  0.31
Output  | 0.0001503  | 0.0001503  | 0.0001503  |   0.0 |  0.00
Modify  | 0.37672    | 0.37672    | 0.37672    |   0.0 |  0.91
Other   |            | 0.0652     |            |       |  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 40.7193 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.122 ns/day, 11.311 hours/ns, 24.558 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.164     | 40.164     | 40.164     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12599    | 0.12599    | 0.12599    |   0.0 |  0.31
Output  | 0.00021041 | 0.00021041 | 0.00021041 |   0.0 |  0.00
Modify  | 0.36416    | 0.36416    | 0.36416    |   0.0 |  0.89
Other   |            | 0.06527    |            |       |  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 40.7759 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.119 ns/day, 11.327 hours/ns, 24.524 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    | 40.219     | 40.219     | 40.219     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12665    | 0.12665    | 0.12665    |   0.0 |  0.31
Output  | 0.00016617 | 0.00016617 | 0.00016617 |   0.0 |  0.00
Modify  | 0.36454    | 0.36454    | 0.36454    |   0.0 |  0.89
Other   |            | 0.06523    |            |       |  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 41.3946 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.498 hours/ns, 24.158 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.827     | 40.827     | 40.827     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12776    | 0.12776    | 0.12776    |   0.0 |  0.31
Output  | 0.00015693 | 0.00015693 | 0.00015693 |   0.0 |  0.00
Modify  | 0.37378    | 0.37378    | 0.37378    |   0.0 |  0.90
Other   |            | 0.0658     |            |       |  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 40.664 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.125 ns/day, 11.296 hours/ns, 24.592 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.107     | 40.107     | 40.107     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12515    | 0.12515    | 0.12515    |   0.0 |  0.31
Output  | 0.00015383 | 0.00015383 | 0.00015383 |   0.0 |  0.00
Modify  | 0.36622    | 0.36622    | 0.36622    |   0.0 |  0.90
Other   |            | 0.06506    |            |       |  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 41.0191 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.394 hours/ns, 24.379 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.459     | 40.459     | 40.459     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12753    | 0.12753    | 0.12753    |   0.0 |  0.31
Output  | 0.00015522 | 0.00015522 | 0.00015522 |   0.0 |  0.00
Modify  | 0.36714    | 0.36714    | 0.36714    |   0.0 |  0.90
Other   |            | 0.065      |            |       |  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 41.2382 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.095 ns/day, 11.455 hours/ns, 24.249 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.675     | 40.675     | 40.675     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12649    | 0.12649    | 0.12649    |   0.0 |  0.31
Output  | 0.00019558 | 0.00019558 | 0.00019558 |   0.0 |  0.00
Modify  | 0.37082    | 0.37082    | 0.37082    |   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:        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 41.1 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.102 ns/day, 11.417 hours/ns, 24.331 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.539     | 40.539     | 40.539     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12745    | 0.12745    | 0.12745    |   0.0 |  0.31
Output  | 0.00015294 | 0.00015294 | 0.00015294 |   0.0 |  0.00
Modify  | 0.36876    | 0.36876    | 0.36876    |   0.0 |  0.90
Other   |            | 0.06479    |            |       |  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 41.0942 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.102 ns/day, 11.415 hours/ns, 24.334 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.535     | 40.535     | 40.535     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12684    | 0.12684    | 0.12684    |   0.0 |  0.31
Output  | 0.00015489 | 0.00015489 | 0.00015489 |   0.0 |  0.00
Modify  | 0.3671     | 0.3671     | 0.3671     |   0.0 |  0.89
Other   |            | 0.06461    |            |       |  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 41.4641 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.084 ns/day, 11.518 hours/ns, 24.117 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.899     | 40.899     | 40.899     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12764    | 0.12764    | 0.12764    |   0.0 |  0.31
Output  | 0.00015486 | 0.00015486 | 0.00015486 |   0.0 |  0.00
Modify  | 0.37208    | 0.37208    | 0.37208    |   0.0 |  0.90
Other   |            | 0.06504    |            |       |  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 40.5401 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.131 ns/day, 11.261 hours/ns, 24.667 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.987     | 39.987     | 39.987     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12482    | 0.12482    | 0.12482    |   0.0 |  0.31
Output  | 0.0001533  | 0.0001533  | 0.0001533  |   0.0 |  0.00
Modify  | 0.36358    | 0.36358    | 0.36358    |   0.0 |  0.90
Other   |            | 0.06505    |            |       |  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 41.4245 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.086 ns/day, 11.507 hours/ns, 24.140 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.855     | 40.855     | 40.855     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12809    | 0.12809    | 0.12809    |   0.0 |  0.31
Output  | 0.00019412 | 0.00019412 | 0.00019412 |   0.0 |  0.00
Modify  | 0.37558    | 0.37558    | 0.37558    |   0.0 |  0.91
Other   |            | 0.06577    |            |       |  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 40.3383 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.142 ns/day, 11.205 hours/ns, 24.790 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.787     | 39.787     | 39.787     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1238     | 0.1238     | 0.1238     |   0.0 |  0.31
Output  | 0.00044978 | 0.00044978 | 0.00044978 |   0.0 |  0.00
Modify  | 0.36185    | 0.36185    | 0.36185    |   0.0 |  0.90
Other   |            | 0.06493    |            |       |  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 41.2879 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.469 hours/ns, 24.220 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    | 40.721     | 40.721     | 40.721     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12646    | 0.12646    | 0.12646    |   0.0 |  0.31
Output  | 0.00015454 | 0.00015454 | 0.00015454 |   0.0 |  0.00
Modify  | 0.37352    | 0.37352    | 0.37352    |   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:        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 42.2438 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.045 ns/day, 11.734 hours/ns, 23.672 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    | 41.66      | 41.66      | 41.66      |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13089    | 0.13089    | 0.13089    |   0.0 |  0.31
Output  | 0.00015678 | 0.00015678 | 0.00015678 |   0.0 |  0.00
Modify  | 0.38654    | 0.38654    | 0.38654    |   0.0 |  0.92
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:        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 41.2379 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.095 ns/day, 11.455 hours/ns, 24.250 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.669     | 40.669     | 40.669     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12748    | 0.12748    | 0.12748    |   0.0 |  0.31
Output  | 0.000172   | 0.000172   | 0.000172   |   0.0 |  0.00
Modify  | 0.37559    | 0.37559    | 0.37559    |   0.0 |  0.91
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:        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 41.3017 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.092 ns/day, 11.473 hours/ns, 24.212 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.736     | 40.736     | 40.736     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12701    | 0.12701    | 0.12701    |   0.0 |  0.31
Output  | 0.00019565 | 0.00019565 | 0.00019565 |   0.0 |  0.00
Modify  | 0.37258    | 0.37258    | 0.37258    |   0.0 |  0.90
Other   |            | 0.0656     |            |       |  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 41.545 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.080 ns/day, 11.540 hours/ns, 24.070 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    | 40.976     | 40.976     | 40.976     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1285     | 0.1285     | 0.1285     |   0.0 |  0.31
Output  | 0.00015416 | 0.00015416 | 0.00015416 |   0.0 |  0.00
Modify  | 0.3751     | 0.3751     | 0.3751     |   0.0 |  0.90
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:        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 40.8326 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.116 ns/day, 11.342 hours/ns, 24.490 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.276     | 40.276     | 40.276     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12524    | 0.12524    | 0.12524    |   0.0 |  0.31
Output  | 0.00015599 | 0.00015599 | 0.00015599 |   0.0 |  0.00
Modify  | 0.36639    | 0.36639    | 0.36639    |   0.0 |  0.90
Other   |            | 0.06516    |            |       |  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 41.6275 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    | 41.056     | 41.056     | 41.056     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12797    | 0.12797    | 0.12797    |   0.0 |  0.31
Output  | 0.00018815 | 0.00018815 | 0.00018815 |   0.0 |  0.00
Modify  | 0.37747    | 0.37747    | 0.37747    |   0.0 |  0.91
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:        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 40.6713 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.124 ns/day, 11.298 hours/ns, 24.587 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    | 40.115     | 40.115     | 40.115     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12504    | 0.12504    | 0.12504    |   0.0 |  0.31
Output  | 0.00015368 | 0.00015368 | 0.00015368 |   0.0 |  0.00
Modify  | 0.36545    | 0.36545    | 0.36545    |   0.0 |  0.90
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:        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 40.1529 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.152 ns/day, 11.154 hours/ns, 24.905 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.607     | 39.607     | 39.607     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12373    | 0.12373    | 0.12373    |   0.0 |  0.31
Output  | 0.00015531 | 0.00015531 | 0.00015531 |   0.0 |  0.00
Modify  | 0.35768    | 0.35768    | 0.35768    |   0.0 |  0.89
Other   |            | 0.06484    |            |       |  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 40.7103 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.122 ns/day, 11.308 hours/ns, 24.564 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.153     | 40.153     | 40.153     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12602    | 0.12602    | 0.12602    |   0.0 |  0.31
Output  | 0.00020409 | 0.00020409 | 0.00020409 |   0.0 |  0.00
Modify  | 0.36573    | 0.36573    | 0.36573    |   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:        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 42.9707 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.011 ns/day, 11.936 hours/ns, 23.272 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    | 42.376     | 42.376     | 42.376     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13257    | 0.13257    | 0.13257    |   0.0 |  0.31
Output  | 0.00015379 | 0.00015379 | 0.00015379 |   0.0 |  0.00
Modify  | 0.39597    | 0.39597    | 0.39597    |   0.0 |  0.92
Other   |            | 0.0661     |            |       |  0.15

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 40.8379 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    | 40.281     | 40.281     | 40.281     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12519    | 0.12519    | 0.12519    |   0.0 |  0.31
Output  | 0.00019153 | 0.00019153 | 0.00019153 |   0.0 |  0.00
Modify  | 0.36697    | 0.36697    | 0.36697    |   0.0 |  0.90
Other   |            | 0.06462    |            |       |  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 42.0951 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.052 ns/day, 11.693 hours/ns, 23.756 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    | 41.516     | 41.516     | 41.516     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12996    | 0.12996    | 0.12996    |   0.0 |  0.31
Output  | 0.00019428 | 0.00019428 | 0.00019428 |   0.0 |  0.00
Modify  | 0.38315    | 0.38315    | 0.38315    |   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:        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 41.6799 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.073 ns/day, 11.578 hours/ns, 23.992 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    | 41.107     | 41.107     | 41.107     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12917    | 0.12917    | 0.12917    |   0.0 |  0.31
Output  | 0.00016086 | 0.00016086 | 0.00016086 |   0.0 |  0.00
Modify  | 0.37851    | 0.37851    | 0.37851    |   0.0 |  0.91
Other   |            | 0.06546    |            |       |  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 41.7602 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.069 ns/day, 11.600 hours/ns, 23.946 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    | 41.187     | 41.187     | 41.187     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12881    | 0.12881    | 0.12881    |   0.0 |  0.31
Output  | 0.00015739 | 0.00015739 | 0.00015739 |   0.0 |  0.00
Modify  | 0.37888    | 0.37888    | 0.37888    |   0.0 |  0.91
Other   |            | 0.06501    |            |       |  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 41.0971 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.102 ns/day, 11.416 hours/ns, 24.333 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.533     | 40.533     | 40.533     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12633    | 0.12633    | 0.12633    |   0.0 |  0.31
Output  | 0.00015489 | 0.00015489 | 0.00015489 |   0.0 |  0.00
Modify  | 0.37189    | 0.37189    | 0.37189    |   0.0 |  0.90
Other   |            | 0.06576    |            |       |  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 42.0417 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.055 ns/day, 11.678 hours/ns, 23.786 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    | 41.463     | 41.463     | 41.463     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13003    | 0.13003    | 0.13003    |   0.0 |  0.31
Output  | 0.00015549 | 0.00015549 | 0.00015549 |   0.0 |  0.00
Modify  | 0.38288    | 0.38288    | 0.38288    |   0.0 |  0.91
Other   |            | 0.06518    |            |       |  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 42.3019 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.042 ns/day, 11.751 hours/ns, 23.640 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    | 0.13013    | 0.13013    | 0.13013    |   0.0 |  0.31
Output  | 0.00019598 | 0.00019598 | 0.00019598 |   0.0 |  0.00
Modify  | 0.38522    | 0.38522    | 0.38522    |   0.0 |  0.91
Other   |            | 0.06614    |            |       |  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 41.423 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.086 ns/day, 11.506 hours/ns, 24.141 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.857     | 40.857     | 40.857     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12671    | 0.12671    | 0.12671    |   0.0 |  0.31
Output  | 0.0001541  | 0.0001541  | 0.0001541  |   0.0 |  0.00
Modify  | 0.37393    | 0.37393    | 0.37393    |   0.0 |  0.90
Other   |            | 0.06521    |            |       |  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 40.9243 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.111 ns/day, 11.368 hours/ns, 24.435 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.366     | 40.366     | 40.366     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12551    | 0.12551    | 0.12551    |   0.0 |  0.31
Output  | 0.00015471 | 0.00015471 | 0.00015471 |   0.0 |  0.00
Modify  | 0.36747    | 0.36747    | 0.36747    |   0.0 |  0.90
Other   |            | 0.06509    |            |       |  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 41.2753 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.465 hours/ns, 24.228 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.708     | 40.708     | 40.708     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12795    | 0.12795    | 0.12795    |   0.0 |  0.31
Output  | 0.00015583 | 0.00015583 | 0.00015583 |   0.0 |  0.00
Modify  | 0.37326    | 0.37326    | 0.37326    |   0.0 |  0.90
Other   |            | 0.0659     |            |       |  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 41.0237 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.395 hours/ns, 24.376 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.466     | 40.466     | 40.466     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12568    | 0.12568    | 0.12568    |   0.0 |  0.31
Output  | 0.00015472 | 0.00015472 | 0.00015472 |   0.0 |  0.00
Modify  | 0.36701    | 0.36701    | 0.36701    |   0.0 |  0.89
Other   |            | 0.06526    |            |       |  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 42.4805 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.034 ns/day, 11.800 hours/ns, 23.540 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    | 41.896     | 41.896     | 41.896     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13114    | 0.13114    | 0.13114    |   0.0 |  0.31
Output  | 0.00019156 | 0.00019156 | 0.00019156 |   0.0 |  0.00
Modify  | 0.38804    | 0.38804    | 0.38804    |   0.0 |  0.91
Other   |            | 0.06562    |            |       |  0.15

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 41.2789 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.466 hours/ns, 24.225 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.71      | 40.71      | 40.71      |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12871    | 0.12871    | 0.12871    |   0.0 |  0.31
Output  | 0.00020993 | 0.00020993 | 0.00020993 |   0.0 |  0.00
Modify  | 0.37486    | 0.37486    | 0.37486    |   0.0 |  0.91
Other   |            | 0.06516    |            |       |  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 41.7577 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.069 ns/day, 11.599 hours/ns, 23.948 timesteps/s
100.0% 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    | 0.12809    | 0.12809    | 0.12809    |   0.0 |  0.31
Output  | 0.00015489 | 0.00015489 | 0.00015489 |   0.0 |  0.00
Modify  | 0.37821    | 0.37821    | 0.37821    |   0.0 |  0.91
Other   |            | 0.06568    |            |       |  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 41.6911 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.072 ns/day, 11.581 hours/ns, 23.986 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.117     | 41.117     | 41.117     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12826    | 0.12826    | 0.12826    |   0.0 |  0.31
Output  | 0.00015445 | 0.00015445 | 0.00015445 |   0.0 |  0.00
Modify  | 0.37917    | 0.37917    | 0.37917    |   0.0 |  0.91
Other   |            | 0.06616    |            |       |  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 40.5561 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    | 40.002     | 40.002     | 40.002     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1259     | 0.1259     | 0.1259     |   0.0 |  0.31
Output  | 0.00024491 | 0.00024491 | 0.00024491 |   0.0 |  0.00
Modify  | 0.36297    | 0.36297    | 0.36297    |   0.0 |  0.89
Other   |            | 0.06529    |            |       |  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 41.1308 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.101 ns/day, 11.425 hours/ns, 24.313 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    | 40.568     | 40.568     | 40.568     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12647    | 0.12647    | 0.12647    |   0.0 |  0.31
Output  | 0.00015321 | 0.00015321 | 0.00015321 |   0.0 |  0.00
Modify  | 0.37118    | 0.37118    | 0.37118    |   0.0 |  0.90
Other   |            | 0.06538    |            |       |  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 41.4869 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.083 ns/day, 11.524 hours/ns, 24.104 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    | 40.917     | 40.917     | 40.917     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12749    | 0.12749    | 0.12749    |   0.0 |  0.31
Output  | 0.00049097 | 0.00049097 | 0.00049097 |   0.0 |  0.00
Modify  | 0.37636    | 0.37636    | 0.37636    |   0.0 |  0.91
Other   |            | 0.06542    |            |       |  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 41.9083 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.062 ns/day, 11.641 hours/ns, 23.862 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    | 41.33      | 41.33      | 41.33      |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13013    | 0.13013    | 0.13013    |   0.0 |  0.31
Output  | 0.00019223 | 0.00019223 | 0.00019223 |   0.0 |  0.00
Modify  | 0.38182    | 0.38182    | 0.38182    |   0.0 |  0.91
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:        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 42.8855 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.015 ns/day, 11.913 hours/ns, 23.318 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.293     | 42.293     | 42.293     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13306    | 0.13306    | 0.13306    |   0.0 |  0.31
Output  | 0.0001562  | 0.0001562  | 0.0001562  |   0.0 |  0.00
Modify  | 0.39366    | 0.39366    | 0.39366    |   0.0 |  0.92
Other   |            | 0.06604    |            |       |  0.15

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 40.6376 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.126 ns/day, 11.288 hours/ns, 24.608 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    | 40.084     | 40.084     | 40.084     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12499    | 0.12499    | 0.12499    |   0.0 |  0.31
Output  | 0.00015448 | 0.00015448 | 0.00015448 |   0.0 |  0.00
Modify  | 0.36329    | 0.36329    | 0.36329    |   0.0 |  0.89
Other   |            | 0.06509    |            |       |  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 41.9177 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.061 ns/day, 11.644 hours/ns, 23.856 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.344     | 41.344     | 41.344     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12909    | 0.12909    | 0.12909    |   0.0 |  0.31
Output  | 0.00015634 | 0.00015634 | 0.00015634 |   0.0 |  0.00
Modify  | 0.37901    | 0.37901    | 0.37901    |   0.0 |  0.90
Other   |            | 0.06574    |            |       |  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 41.4048 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.501 hours/ns, 24.152 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.84      | 40.84      | 40.84      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12711    | 0.12711    | 0.12711    |   0.0 |  0.31
Output  | 0.00021029 | 0.00021029 | 0.00021029 |   0.0 |  0.00
Modify  | 0.37188    | 0.37188    | 0.37188    |   0.0 |  0.90
Other   |            | 0.06577    |            |       |  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 40.906 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.112 ns/day, 11.363 hours/ns, 24.446 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.349     | 40.349     | 40.349     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12612    | 0.12612    | 0.12612    |   0.0 |  0.31
Output  | 0.00015246 | 0.00015246 | 0.00015246 |   0.0 |  0.00
Modify  | 0.36573    | 0.36573    | 0.36573    |   0.0 |  0.89
Other   |            | 0.06485    |            |       |  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 40.2583 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.146 ns/day, 11.183 hours/ns, 24.840 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.71      | 39.71      | 39.71      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12349    | 0.12349    | 0.12349    |   0.0 |  0.31
Output  | 0.00015449 | 0.00015449 | 0.00015449 |   0.0 |  0.00
Modify  | 0.35949    | 0.35949    | 0.35949    |   0.0 |  0.89
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:        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 41.061 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.104 ns/day, 11.406 hours/ns, 24.354 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.503     | 40.503     | 40.503     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12542    | 0.12542    | 0.12542    |   0.0 |  0.31
Output  | 0.00015324 | 0.00015324 | 0.00015324 |   0.0 |  0.00
Modify  | 0.36788    | 0.36788    | 0.36788    |   0.0 |  0.90
Other   |            | 0.06493    |            |       |  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 41.6491 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.074 ns/day, 11.569 hours/ns, 24.010 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.079     | 41.079     | 41.079     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12771    | 0.12771    | 0.12771    |   0.0 |  0.31
Output  | 0.00015689 | 0.00015689 | 0.00015689 |   0.0 |  0.00
Modify  | 0.37615    | 0.37615    | 0.37615    |   0.0 |  0.90
Other   |            | 0.06615    |            |       |  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 42.3709 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.039 ns/day, 11.770 hours/ns, 23.601 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    | 41.787     | 41.787     | 41.787     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13078    | 0.13078    | 0.13078    |   0.0 |  0.31
Output  | 0.00015514 | 0.00015514 | 0.00015514 |   0.0 |  0.00
Modify  | 0.38661    | 0.38661    | 0.38661    |   0.0 |  0.91
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:        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 40.642 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.126 ns/day, 11.289 hours/ns, 24.605 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.087     | 40.087     | 40.087     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12589    | 0.12589    | 0.12589    |   0.0 |  0.31
Output  | 0.00015736 | 0.00015736 | 0.00015736 |   0.0 |  0.00
Modify  | 0.36382    | 0.36382    | 0.36382    |   0.0 |  0.90
Other   |            | 0.06517    |            |       |  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 42.2443 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.045 ns/day, 11.735 hours/ns, 23.672 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.664     | 41.664     | 41.664     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13066    | 0.13066    | 0.13066    |   0.0 |  0.31
Output  | 0.00015533 | 0.00015533 | 0.00015533 |   0.0 |  0.00
Modify  | 0.38383    | 0.38383    | 0.38383    |   0.0 |  0.91
Other   |            | 0.06535    |            |       |  0.15

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 40.6008 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.128 ns/day, 11.278 hours/ns, 24.630 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.045     | 40.045     | 40.045     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.126      | 0.126      | 0.126      |   0.0 |  0.31
Output  | 0.00015834 | 0.00015834 | 0.00015834 |   0.0 |  0.00
Modify  | 0.36466    | 0.36466    | 0.36466    |   0.0 |  0.90
Other   |            | 0.06526    |            |       |  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 41.2943 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.092 ns/day, 11.471 hours/ns, 24.216 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    | 40.731     | 40.731     | 40.731     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12704    | 0.12704    | 0.12704    |   0.0 |  0.31
Output  | 0.00015879 | 0.00015879 | 0.00015879 |   0.0 |  0.00
Modify  | 0.37106    | 0.37106    | 0.37106    |   0.0 |  0.90
Other   |            | 0.065      |            |       |  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 40.9191 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.111 ns/day, 11.366 hours/ns, 24.438 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.36      | 40.36      | 40.36      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12601    | 0.12601    | 0.12601    |   0.0 |  0.31
Output  | 0.00015291 | 0.00015291 | 0.00015291 |   0.0 |  0.00
Modify  | 0.36736    | 0.36736    | 0.36736    |   0.0 |  0.90
Other   |            | 0.06523    |            |       |  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 41.5797 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.078 ns/day, 11.550 hours/ns, 24.050 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.008     | 41.008     | 41.008     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12886    | 0.12886    | 0.12886    |   0.0 |  0.31
Output  | 0.00015396 | 0.00015396 | 0.00015396 |   0.0 |  0.00
Modify  | 0.37717    | 0.37717    | 0.37717    |   0.0 |  0.91
Other   |            | 0.06559    |            |       |  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 40.9097 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.112 ns/day, 11.364 hours/ns, 24.444 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.35      | 40.35      | 40.35      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12545    | 0.12545    | 0.12545    |   0.0 |  0.31
Output  | 0.00019243 | 0.00019243 | 0.00019243 |   0.0 |  0.00
Modify  | 0.36833    | 0.36833    | 0.36833    |   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:        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