# 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 3.56571938097477*${_u_distance}
variable latticeconst_converted equal 3.56571938097477*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.56571938097477
Lattice spacing in x,y,z = 3.5657194 3.5657194 3.5657194
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 (35.657194 35.657194 35.657194)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.657194 35.657194 35.657194)
  create_atoms CPU = 0.003 seconds

variable mass_converted equal 12.0107*${_u_mass}
variable mass_converted equal 12.0107*1

kim_interactions C

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

kim interactions C
#=== BEGIN kim interactions ==================================
pair_style kim Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
pair_coeff * * C
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 12.0107

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 45335.8209841381    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8209841381/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8209841381/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8209841381/(1*1*${_u_distance})
variable      V0_metal equal 45335.8209841381/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 45335.8209841381*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 45335.8209841381 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 333.15*${_u_temperature}
variable temp_converted equal 333.15*1
variable Tdamp_converted equal 0.1*${_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 333.15 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 333.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 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  "333.15 - 0.2"
variable      T_up  equal  "333.15 + 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/MO_408791041969_004#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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.57 | 11.57 | 11.57 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58641.098   -58641.098   -58985.559   -58985.559       333.15       333.15    45335.821    45335.821    8115.4366    8115.4366 
    1000   -58263.951   -58263.951   -58613.176   -58613.176    337.75688    337.75688     45636.53     45636.53    -3532.603    -3532.603 
Loop time of 93.5601 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.923 ns/day, 25.989 hours/ns, 10.688 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 92.829     | 92.829     | 92.829     |   0.0 | 99.22
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074812   | 0.074812   | 0.074812   |   0.0 |  0.08
Output  | 0.00033884 | 0.00033884 | 0.00033884 |   0.0 |  0.00
Modify  | 0.57371    | 0.57371    | 0.57371    |   0.0 |  0.61
Other   |            | 0.08176    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      784000.0 ave      784000 max      784000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 784000
Ave neighs/atom = 98.000000
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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -58263.951   -58263.951   -58613.176   -58613.176    337.75688    337.75688     45636.53     45636.53    -3532.603    -3532.603 
    2000   -58299.528   -58299.528   -58632.066   -58632.066    321.61784    321.61784    45567.528    45567.528    1752.3123    1752.3123 
Loop time of 99.0053 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.873 ns/day, 27.501 hours/ns, 10.100 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 98.214     | 98.214     | 98.214     |   0.0 | 99.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07806    | 0.07806    | 0.07806    |   0.0 |  0.08
Output  | 0.00016262 | 0.00016262 | 0.00016262 |   0.0 |  0.00
Modify  | 0.62535    | 0.62535    | 0.62535    |   0.0 |  0.63
Other   |            | 0.08795    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      732198.0 ave      732198 max      732198 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 732198
Ave neighs/atom = 91.524750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -58299.528   -58299.528   -58632.066   -58632.066    321.61784    321.61784    45567.528    45567.528    1752.3123    1752.3123 
    3000   -58284.753   -58284.753   -58640.095   -58640.095    343.67349    343.67349    45596.216    45596.216   -633.54664   -633.54664 
Loop time of 92.8615 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.930 ns/day, 25.795 hours/ns, 10.769 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 92.108     | 92.108     | 92.108     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075686   | 0.075686   | 0.075686   |   0.0 |  0.08
Output  | 0.00015356 | 0.00015356 | 0.00015356 |   0.0 |  0.00
Modify  | 0.59262    | 0.59262    | 0.59262    |   0.0 |  0.64
Other   |            | 0.08502    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734392.0 ave      734392 max      734392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734392
Ave neighs/atom = 91.799000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58284.753   -58284.753   -58640.095   -58640.095    343.67349    343.67349    45596.216    45596.216   -633.54664   -633.54664 
    4000    -58287.87    -58287.87   -58623.997   -58623.997     325.0891     325.0891    45589.712    45589.712    252.06216    252.06216 
Loop time of 84.9103 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.018 ns/day, 23.586 hours/ns, 11.777 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 84.229     | 84.229     | 84.229     |   0.0 | 99.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070262   | 0.070262   | 0.070262   |   0.0 |  0.08
Output  | 0.00015734 | 0.00015734 | 0.00015734 |   0.0 |  0.00
Modify  | 0.53956    | 0.53956    | 0.53956    |   0.0 |  0.64
Other   |            | 0.07172    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733254.0 ave      733254 max      733254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733254
Ave neighs/atom = 91.656750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000    -58287.87    -58287.87   -58623.997   -58623.997     325.0891     325.0891    45589.712    45589.712    252.06216    252.06216 
    5000   -58293.228   -58293.228   -58637.365   -58637.365    332.83711    332.83711    45572.534    45572.534    1340.7478    1340.7478 
Loop time of 91.5386 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.944 ns/day, 25.427 hours/ns, 10.924 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 90.807     | 90.807     | 90.807     |   0.0 | 99.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.073219   | 0.073219   | 0.073219   |   0.0 |  0.08
Output  | 0.00013287 | 0.00013287 | 0.00013287 |   0.0 |  0.00
Modify  | 0.5804     | 0.5804     | 0.5804     |   0.0 |  0.63
Other   |            | 0.07835    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733340.0 ave      733340 max      733340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733340
Ave neighs/atom = 91.667500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.831272762692, Press = 670.557729442639
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58293.228   -58293.228   -58637.365   -58637.365    332.83711    332.83711    45572.534    45572.534    1340.7478    1340.7478 
    6000    -58282.65    -58282.65   -58637.878   -58637.878    343.56312    343.56312    45630.012    45630.012   -3814.6032   -3814.6032 
Loop time of 94.6154 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.913 ns/day, 26.282 hours/ns, 10.569 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 93.849     | 93.849     | 93.849     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074436   | 0.074436   | 0.074436   |   0.0 |  0.08
Output  | 9.6216e-05 | 9.6216e-05 | 9.6216e-05 |   0.0 |  0.00
Modify  | 0.60989    | 0.60989    | 0.60989    |   0.0 |  0.64
Other   |            | 0.08166    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734284.0 ave      734284 max      734284 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734284
Ave neighs/atom = 91.785500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.727307157518, Press = -55.4243533671413
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000    -58282.65    -58282.65   -58637.878   -58637.878    343.56312    343.56312    45630.012    45630.012   -3814.6032   -3814.6032 
    7000   -58294.937   -58294.937   -58631.821   -58631.821    325.82205    325.82205    45540.971    45540.971    4163.5256    4163.5256 
Loop time of 89.0884 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.970 ns/day, 24.747 hours/ns, 11.225 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    | 88.362     | 88.362     | 88.362     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07207    | 0.07207    | 0.07207    |   0.0 |  0.08
Output  | 0.00012469 | 0.00012469 | 0.00012469 |   0.0 |  0.00
Modify  | 0.57768    | 0.57768    | 0.57768    |   0.0 |  0.65
Other   |            | 0.07651    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      731954.0 ave      731954 max      731954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 731954
Ave neighs/atom = 91.494250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.974525847478, Press = 25.0113898099038
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -58294.937   -58294.937   -58631.821   -58631.821    325.82205    325.82205    45540.971    45540.971    4163.5256    4163.5256 
    8000    -58284.06    -58284.06   -58625.745   -58625.745    330.46534    330.46534    45608.108    45608.108   -1568.2394   -1568.2394 
Loop time of 85.4649 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.011 ns/day, 23.740 hours/ns, 11.701 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 84.768     | 84.768     | 84.768     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070693   | 0.070693   | 0.070693   |   0.0 |  0.08
Output  | 0.00013198 | 0.00013198 | 0.00013198 |   0.0 |  0.00
Modify  | 0.55357    | 0.55357    | 0.55357    |   0.0 |  0.65
Other   |            | 0.07207    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735388.0 ave      735388 max      735388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735388
Ave neighs/atom = 91.923500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.097008362279, Press = 5.11292748951429
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000    -58284.06    -58284.06   -58625.745   -58625.745    330.46534    330.46534    45608.108    45608.108   -1568.2394   -1568.2394 
    9000   -58290.902   -58290.902   -58632.959   -58632.959    330.82559    330.82559    45574.376    45574.376     1164.104     1164.104 
Loop time of 92.2118 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.937 ns/day, 25.614 hours/ns, 10.845 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 91.462     | 91.462     | 91.462     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07373    | 0.07373    | 0.07373    |   0.0 |  0.08
Output  | 0.00013343 | 0.00013343 | 0.00013343 |   0.0 |  0.00
Modify  | 0.59612    | 0.59612    | 0.59612    |   0.0 |  0.65
Other   |            | 0.07941    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      732772.0 ave      732772 max      732772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 732772
Ave neighs/atom = 91.596500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.012639013032, Press = 1.78151658673762
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -58290.902   -58290.902   -58632.959   -58632.959    330.82559    330.82559    45574.376    45574.376     1164.104     1164.104 
   10000   -58291.805   -58291.805   -58633.292   -58633.292    330.27396    330.27396    45601.719    45601.719   -1338.5841   -1338.5841 
Loop time of 96.4964 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.895 ns/day, 26.805 hours/ns, 10.363 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.716     | 95.716     | 95.716     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07509    | 0.07509    | 0.07509    |   0.0 |  0.08
Output  | 0.00010014 | 0.00010014 | 0.00010014 |   0.0 |  0.00
Modify  | 0.62182    | 0.62182    | 0.62182    |   0.0 |  0.64
Other   |            | 0.08326    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734116.0 ave      734116 max      734116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734116
Ave neighs/atom = 91.764500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.120731132872, Press = 7.77534138866868
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -58291.805   -58291.805   -58633.292   -58633.292    330.27396    330.27396    45601.719    45601.719   -1338.5841   -1338.5841 
   11000   -58284.335   -58284.335   -58627.176   -58627.176     331.5834     331.5834    45578.981    45578.981    1107.9042    1107.9042 
Loop time of 96.3078 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.897 ns/day, 26.752 hours/ns, 10.383 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.526     | 95.526     | 95.526     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075956   | 0.075956   | 0.075956   |   0.0 |  0.08
Output  | 0.00012996 | 0.00012996 | 0.00012996 |   0.0 |  0.00
Modify  | 0.62197    | 0.62197    | 0.62197    |   0.0 |  0.65
Other   |            | 0.08346    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733238.0 ave      733238 max      733238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733238
Ave neighs/atom = 91.654750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.985272333457, Press = -8.71647357316217
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58284.335   -58284.335   -58627.176   -58627.176     331.5834     331.5834    45578.981    45578.981    1107.9042    1107.9042 
   12000   -58294.257   -58294.257   -58634.371   -58634.371     328.9461     328.9461    45586.528    45586.528   -109.33354   -109.33354 
Loop time of 96.3927 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.896 ns/day, 26.776 hours/ns, 10.374 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.611     | 95.611     | 95.611     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075348   | 0.075348   | 0.075348   |   0.0 |  0.08
Output  | 0.00013123 | 0.00013123 | 0.00013123 |   0.0 |  0.00
Modify  | 0.62218    | 0.62218    | 0.62218    |   0.0 |  0.65
Other   |            | 0.08383    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734070.0 ave      734070 max      734070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734070
Ave neighs/atom = 91.758750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.950069175655, Press = 18.4403113809942
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -58294.257   -58294.257   -58634.371   -58634.371     328.9461     328.9461    45586.528    45586.528   -109.33354   -109.33354 
   13000   -58286.208   -58286.208   -58635.206   -58635.206    337.53826    337.53826      45604.1      45604.1   -1696.5764   -1696.5764 
Loop time of 96.3741 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.897 ns/day, 26.771 hours/ns, 10.376 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    | 95.594     | 95.594     | 95.594     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075318   | 0.075318   | 0.075318   |   0.0 |  0.08
Output  | 0.00013105 | 0.00013105 | 0.00013105 |   0.0 |  0.00
Modify  | 0.62183    | 0.62183    | 0.62183    |   0.0 |  0.65
Other   |            | 0.08325    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733486.0 ave      733486 max      733486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733486
Ave neighs/atom = 91.685750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.816889409398, Press = -8.00267870421805
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -58286.208   -58286.208   -58635.206   -58635.206    337.53826    337.53826      45604.1      45604.1   -1696.5764   -1696.5764 
   14000   -58299.592   -58299.592   -58645.515   -58645.515    334.56398    334.56398    45578.343    45578.343     441.1843     441.1843 
Loop time of 96.4047 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.896 ns/day, 26.779 hours/ns, 10.373 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.623     | 95.623     | 95.623     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075926   | 0.075926   | 0.075926   |   0.0 |  0.08
Output  | 0.00012865 | 0.00012865 | 0.00012865 |   0.0 |  0.00
Modify  | 0.62163    | 0.62163    | 0.62163    |   0.0 |  0.64
Other   |            | 0.08365    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733114.0 ave      733114 max      733114 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733114
Ave neighs/atom = 91.639250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.792989903782, Press = 3.89776660619443
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58299.592   -58299.592   -58645.515   -58645.515    334.56398    334.56398    45578.343    45578.343     441.1843     441.1843 
   15000   -58285.905   -58285.905   -58635.258   -58635.258    337.88089    337.88089     45599.48     45599.48   -1087.5105   -1087.5105 
Loop time of 96.4017 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.896 ns/day, 26.778 hours/ns, 10.373 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.621     | 95.621     | 95.621     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075643   | 0.075643   | 0.075643   |   0.0 |  0.08
Output  | 0.00010012 | 0.00010012 | 0.00010012 |   0.0 |  0.00
Modify  | 0.62171    | 0.62171    | 0.62171    |   0.0 |  0.64
Other   |            | 0.08355    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734018.0 ave      734018 max      734018 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734018
Ave neighs/atom = 91.752250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.72442813903, Press = 0.170211190037085
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -58285.905   -58285.905   -58635.258   -58635.258    337.88089    337.88089     45599.48     45599.48   -1087.5105   -1087.5105 
   16000   -58288.989   -58288.989   -58630.035   -58630.035     329.8474     329.8474    45572.676    45572.676    1722.1866    1722.1866 
Loop time of 96.363 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.897 ns/day, 26.767 hours/ns, 10.377 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.583     | 95.583     | 95.583     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075764   | 0.075764   | 0.075764   |   0.0 |  0.08
Output  | 0.0001314  | 0.0001314  | 0.0001314  |   0.0 |  0.00
Modify  | 0.62064    | 0.62064    | 0.62064    |   0.0 |  0.64
Other   |            | 0.08386    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733178.0 ave      733178 max      733178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733178
Ave neighs/atom = 91.647250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.726835472795, Press = 1.46993911321988
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58288.989   -58288.989   -58630.035   -58630.035     329.8474     329.8474    45572.676    45572.676    1722.1866    1722.1866 
   17000   -58294.214   -58294.214   -58636.257   -58636.257    330.81159    330.81159    45619.172    45619.172   -2964.5292   -2964.5292 
Loop time of 96.4411 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.896 ns/day, 26.789 hours/ns, 10.369 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.66      | 95.66      | 95.66      |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075938   | 0.075938   | 0.075938   |   0.0 |  0.08
Output  | 0.00013319 | 0.00013319 | 0.00013319 |   0.0 |  0.00
Modify  | 0.62189    | 0.62189    | 0.62189    |   0.0 |  0.64
Other   |            | 0.08346    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734260.0 ave      734260 max      734260 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734260
Ave neighs/atom = 91.782500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.744298579908, Press = 3.69425372229619
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -58294.214   -58294.214   -58636.257   -58636.257    330.81159    330.81159    45619.172    45619.172   -2964.5292   -2964.5292 
   18000    -58289.58    -58289.58   -58639.302   -58639.302    338.23775    338.23775    45565.732    45565.732    2027.0559    2027.0559 
Loop time of 96.1827 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.898 ns/day, 26.717 hours/ns, 10.397 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    | 95.401     | 95.401     | 95.401     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075935   | 0.075935   | 0.075935   |   0.0 |  0.08
Output  | 0.00013071 | 0.00013071 | 0.00013071 |   0.0 |  0.00
Modify  | 0.62198    | 0.62198    | 0.62198    |   0.0 |  0.65
Other   |            | 0.08365    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      732384.0 ave      732384 max      732384 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 732384
Ave neighs/atom = 91.548000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.680780621085, Press = -5.06306307638502
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000    -58289.58    -58289.58   -58639.302   -58639.302    338.23775    338.23775    45565.732    45565.732    2027.0559    2027.0559 
   19000   -58290.386   -58290.386   -58633.887   -58633.887    332.22105    332.22105    45591.425    45591.425   -375.59926   -375.59926 
Loop time of 96.3732 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.897 ns/day, 26.770 hours/ns, 10.376 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    | 95.592     | 95.592     | 95.592     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075478   | 0.075478   | 0.075478   |   0.0 |  0.08
Output  | 0.00013162 | 0.00013162 | 0.00013162 |   0.0 |  0.00
Modify  | 0.62213    | 0.62213    | 0.62213    |   0.0 |  0.65
Other   |            | 0.08355    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734472.0 ave      734472 max      734472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734472
Ave neighs/atom = 91.809000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.739106758571, Press = 6.232158694665
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58290.386   -58290.386   -58633.887   -58633.887    332.22105    332.22105    45591.425    45591.425   -375.59926   -375.59926 
   20000   -58286.533   -58286.533   -58628.228   -58628.228    330.47543    330.47543    45598.284    45598.284   -827.80158   -827.80158 
Loop time of 91.2878 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.946 ns/day, 25.358 hours/ns, 10.954 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 90.546     | 90.546     | 90.546     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.073221   | 0.073221   | 0.073221   |   0.0 |  0.08
Output  | 0.00010054 | 0.00010054 | 0.00010054 |   0.0 |  0.00
Modify  | 0.59017    | 0.59017    | 0.59017    |   0.0 |  0.65
Other   |            | 0.0783     |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733530.0 ave      733530 max      733530 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733530
Ave neighs/atom = 91.691250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.73173372061, Press = -3.14243737626307
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58286.533   -58286.533   -58628.228   -58628.228    330.47543    330.47543    45598.284    45598.284   -827.80158   -827.80158 
   21000   -58295.763   -58295.763   -58634.879   -58634.879    327.98062    327.98062    45573.293    45573.293     1272.919     1272.919 
Loop time of 88.5365 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.976 ns/day, 24.593 hours/ns, 11.295 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 87.815     | 87.815     | 87.815     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.071884   | 0.071884   | 0.071884   |   0.0 |  0.08
Output  | 0.00012432 | 0.00012432 | 0.00012432 |   0.0 |  0.00
Modify  | 0.57434    | 0.57434    | 0.57434    |   0.0 |  0.65
Other   |            | 0.07553    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733428.0 ave      733428 max      733428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733428
Ave neighs/atom = 91.678500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.659973440296, Press = 2.9047292209778
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -58295.763   -58295.763   -58634.879   -58634.879    327.98062    327.98062    45573.293    45573.293     1272.919     1272.919 
   22000   -58286.913   -58286.913   -58632.406   -58632.406     334.1478     334.1478    45595.395    45595.395   -653.40504   -653.40504 
Loop time of 85.413 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.012 ns/day, 23.726 hours/ns, 11.708 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 84.715     | 84.715     | 84.715     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070644   | 0.070644   | 0.070644   |   0.0 |  0.08
Output  | 0.00012476 | 0.00012476 | 0.00012476 |   0.0 |  0.00
Modify  | 0.55443    | 0.55443    | 0.55443    |   0.0 |  0.65
Other   |            | 0.0723     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734124.0 ave      734124 max      734124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734124
Ave neighs/atom = 91.765500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.627442781164, Press = 0.326979477328318
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -58286.913   -58286.913   -58632.406   -58632.406     334.1478     334.1478    45595.395    45595.395   -653.40504   -653.40504 
   23000   -58282.514   -58282.514   -58623.267   -58623.267    329.56332    329.56332    45587.679    45587.679     495.9989     495.9989 
Loop time of 85.2984 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.013 ns/day, 23.694 hours/ns, 11.724 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 84.601     | 84.601     | 84.601     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070717   | 0.070717   | 0.070717   |   0.0 |  0.08
Output  | 0.00013846 | 0.00013846 | 0.00013846 |   0.0 |  0.00
Modify  | 0.55406    | 0.55406    | 0.55406    |   0.0 |  0.65
Other   |            | 0.07212    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733320.0 ave      733320 max      733320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733320
Ave neighs/atom = 91.665000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.618827573618, Press = 0.923403903824675
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58282.514   -58282.514   -58623.267   -58623.267    329.56332    329.56332    45587.679    45587.679     495.9989     495.9989 
   24000   -58291.558   -58291.558   -58635.057   -58635.057    332.21995    332.21995     45594.85     45594.85   -773.09709   -773.09709 
Loop time of 93.1694 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.927 ns/day, 25.880 hours/ns, 10.733 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 92.401     | 92.401     | 92.401     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.077081   | 0.077081   | 0.077081   |   0.0 |  0.08
Output  | 0.0001434  | 0.0001434  | 0.0001434  |   0.0 |  0.00
Modify  | 0.60678    | 0.60678    | 0.60678    |   0.0 |  0.65
Other   |            | 0.08424    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733556.0 ave      733556 max      733556 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733556
Ave neighs/atom = 91.694500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.694678302055, Press = 0.740807852828787
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58291.558   -58291.558   -58635.057   -58635.057    332.21995    332.21995     45594.85     45594.85   -773.09709   -773.09709 
   25000   -58286.497   -58286.497   -58634.468   -58634.468    336.54403    336.54403    45580.612    45580.612    778.58513    778.58513 
Loop time of 95.3503 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.906 ns/day, 26.486 hours/ns, 10.488 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 94.566     | 94.566     | 94.566     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.077459   | 0.077459   | 0.077459   |   0.0 |  0.08
Output  | 0.00012385 | 0.00012385 | 0.00012385 |   0.0 |  0.00
Modify  | 0.62067    | 0.62067    | 0.62067    |   0.0 |  0.65
Other   |            | 0.08623    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733688.0 ave      733688 max      733688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733688
Ave neighs/atom = 91.711000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.796965616393, Press = -0.781328670517998
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -58286.497   -58286.497   -58634.468   -58634.468    336.54403    336.54403    45580.612    45580.612    778.58513    778.58513 
   26000   -58284.088   -58284.088   -58627.115   -58627.115     331.7636     331.7636    45595.322    45595.322   -532.76609   -532.76609 
Loop time of 89.8127 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.962 ns/day, 24.948 hours/ns, 11.134 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 89.069     | 89.069     | 89.069     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074468   | 0.074468   | 0.074468   |   0.0 |  0.08
Output  | 0.00014306 | 0.00014306 | 0.00014306 |   0.0 |  0.00
Modify  | 0.58738    | 0.58738    | 0.58738    |   0.0 |  0.65
Other   |            | 0.08211    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733900.0 ave      733900 max      733900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733900
Ave neighs/atom = 91.737500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.837411673379, Press = 3.06987808435005
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58284.088   -58284.088   -58627.115   -58627.115     331.7636     331.7636    45595.322    45595.322   -532.76609   -532.76609 
   27000   -58295.103   -58295.103    -58636.16    -58636.16    329.85773    329.85773     45593.95     45593.95   -634.89446   -634.89446 
Loop time of 87.8262 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.984 ns/day, 24.396 hours/ns, 11.386 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 87.097     | 87.097     | 87.097     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07321    | 0.07321    | 0.07321    |   0.0 |  0.08
Output  | 0.00012749 | 0.00012749 | 0.00012749 |   0.0 |  0.00
Modify  | 0.57602    | 0.57602    | 0.57602    |   0.0 |  0.66
Other   |            | 0.07994    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733606.0 ave      733606 max      733606 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733606
Ave neighs/atom = 91.700750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.86173850268, Press = -3.15836971305542
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -58295.103   -58295.103    -58636.16    -58636.16    329.85773    329.85773     45593.95     45593.95   -634.89446   -634.89446 
   28000   -58288.202   -58288.202   -58631.991   -58631.991    332.50031    332.50031    45563.215    45563.215    2586.2583    2586.2583 
Loop time of 87.8951 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.983 ns/day, 24.415 hours/ns, 11.377 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 87.168     | 87.168     | 87.168     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.073036   | 0.073036   | 0.073036   |   0.0 |  0.08
Output  | 0.00012602 | 0.00012602 | 0.00012602 |   0.0 |  0.00
Modify  | 0.57515    | 0.57515    | 0.57515    |   0.0 |  0.65
Other   |            | 0.07886    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733418.0 ave      733418 max      733418 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733418
Ave neighs/atom = 91.677250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.856898740062, Press = 4.07463004233934
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58288.202   -58288.202   -58631.991   -58631.991    332.50031    332.50031    45563.215    45563.215    2586.2583    2586.2583 
   29000   -58289.836   -58289.836   -58633.638   -58633.638    332.51241    332.51241    45626.103    45626.103   -3700.6019   -3700.6019 
Loop time of 93.0871 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.928 ns/day, 25.858 hours/ns, 10.743 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 92.317     | 92.317     | 92.317     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.076287   | 0.076287   | 0.076287   |   0.0 |  0.08
Output  | 0.00013029 | 0.00013029 | 0.00013029 |   0.0 |  0.00
Modify  | 0.60813    | 0.60813    | 0.60813    |   0.0 |  0.65
Other   |            | 0.08563    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734568.0 ave      734568 max      734568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734568
Ave neighs/atom = 91.821000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.798834966251, Press = -1.65445697742468
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -58289.836   -58289.836   -58633.638   -58633.638    332.51241    332.51241    45626.103    45626.103   -3700.6019   -3700.6019 
   30000   -58289.941   -58289.941   -58635.388   -58635.388     334.1039     334.1039    45569.649    45569.649    1769.6405    1769.6405 
Loop time of 90.7344 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.952 ns/day, 25.204 hours/ns, 11.021 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 89.979     | 89.979     | 89.979     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075518   | 0.075518   | 0.075518   |   0.0 |  0.08
Output  | 0.00014082 | 0.00014082 | 0.00014082 |   0.0 |  0.00
Modify  | 0.59582    | 0.59582    | 0.59582    |   0.0 |  0.66
Other   |            | 0.08388    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      732036.0 ave      732036 max      732036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 732036
Ave neighs/atom = 91.504500
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 = 332.808636593458, Press = 0.430409847169565
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -58289.941   -58289.941   -58635.388   -58635.388     334.1039     334.1039    45569.649    45569.649    1769.6405    1769.6405 
   31000   -58283.598   -58283.598   -58631.289   -58631.289    336.27358    336.27358    45600.001    45600.001   -934.32053   -934.32053 
Loop time of 92.9916 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.929 ns/day, 25.831 hours/ns, 10.754 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 92.217     | 92.217     | 92.217     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.077139   | 0.077139   | 0.077139   |   0.0 |  0.08
Output  | 0.0001258  | 0.0001258  | 0.0001258  |   0.0 |  0.00
Modify  | 0.60974    | 0.60974    | 0.60974    |   0.0 |  0.66
Other   |            | 0.0872     |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734358.0 ave      734358 max      734358 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734358
Ave neighs/atom = 91.794750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.842311627883, Press = 0.78472431257998
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -58283.598   -58283.598   -58631.289   -58631.289    336.27358    336.27358    45600.001    45600.001   -934.32053   -934.32053 
   32000   -58289.832   -58289.832   -58633.447   -58633.447    332.33197    332.33197    45579.191    45579.191    931.41509    931.41509 
Loop time of 95.5403 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.904 ns/day, 26.539 hours/ns, 10.467 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 94.744     | 94.744     | 94.744     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079172   | 0.079172   | 0.079172   |   0.0 |  0.08
Output  | 0.00012282 | 0.00012282 | 0.00012282 |   0.0 |  0.00
Modify  | 0.62669    | 0.62669    | 0.62669    |   0.0 |  0.66
Other   |            | 0.09033    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733262.0 ave      733262 max      733262 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733262
Ave neighs/atom = 91.657750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.863705959396, Press = -0.419370846255388
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -58289.832   -58289.832   -58633.447   -58633.447    332.33197    332.33197    45579.191    45579.191    931.41509    931.41509 
   33000   -58281.466   -58281.466   -58632.219   -58632.219    339.23514    339.23514    45601.921    45601.921    -1102.313    -1102.313 
Loop time of 91.258 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.947 ns/day, 25.349 hours/ns, 10.958 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 90.495     | 90.495     | 90.495     |   0.0 | 99.16
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075737   | 0.075737   | 0.075737   |   0.0 |  0.08
Output  | 0.00027376 | 0.00027376 | 0.00027376 |   0.0 |  0.00
Modify  | 0.60089    | 0.60089    | 0.60089    |   0.0 |  0.66
Other   |            | 0.08649    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734208.0 ave      734208 max      734208 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734208
Ave neighs/atom = 91.776000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.935466579025, Press = 2.91686751242849
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -58281.466   -58281.466   -58632.219   -58632.219    339.23514    339.23514    45601.921    45601.921    -1102.313    -1102.313 
   34000   -58291.485   -58291.485   -58637.113   -58637.113    334.27885    334.27885    45594.069    45594.069   -817.46427   -817.46427 
Loop time of 95.3568 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.906 ns/day, 26.488 hours/ns, 10.487 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    | 94.559     | 94.559     | 94.559     |   0.0 | 99.16
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.077993   | 0.077993   | 0.077993   |   0.0 |  0.08
Output  | 0.00031507 | 0.00031507 | 0.00031507 |   0.0 |  0.00
Modify  | 0.62574    | 0.62574    | 0.62574    |   0.0 |  0.66
Other   |            | 0.09354    |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733096.0 ave      733096 max      733096 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733096
Ave neighs/atom = 91.637000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.971405522103, Press = -3.71728057018546
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -58291.485   -58291.485   -58637.113   -58637.113    334.27885    334.27885    45594.069    45594.069   -817.46427   -817.46427 
   35000   -58295.673   -58295.673   -58634.859   -58634.859    328.04806    328.04806    45568.966    45568.966    1662.8722    1662.8722 
Loop time of 100.714 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.858 ns/day, 27.976 hours/ns, 9.929 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 99.877     | 99.877     | 99.877     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.082003   | 0.082003   | 0.082003   |   0.0 |  0.08
Output  | 0.00012951 | 0.00012951 | 0.00012951 |   0.0 |  0.00
Modify  | 0.65844    | 0.65844    | 0.65844    |   0.0 |  0.65
Other   |            | 0.0957     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733336.0 ave      733336 max      733336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733336
Ave neighs/atom = 91.667000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.99279936662, Press = 3.02259718131674
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58295.673   -58295.673   -58634.859   -58634.859    328.04806    328.04806    45568.966    45568.966    1662.8722    1662.8722 
   36000   -58288.374   -58288.374   -58634.628   -58634.628    334.88432    334.88432    45609.187    45609.187   -1874.0341   -1874.0341 
Loop time of 98.0663 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.881 ns/day, 27.241 hours/ns, 10.197 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 97.249     | 97.249     | 97.249     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.081931   | 0.081931   | 0.081931   |   0.0 |  0.08
Output  | 0.00021544 | 0.00021544 | 0.00021544 |   0.0 |  0.00
Modify  | 0.64136    | 0.64136    | 0.64136    |   0.0 |  0.65
Other   |            | 0.09346    |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734326.0 ave      734326 max      734326 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734326
Ave neighs/atom = 91.790750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.994180029733, Press = -0.826275704941681
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58288.374   -58288.374   -58634.628   -58634.628    334.88432    334.88432    45609.187    45609.187   -1874.0341   -1874.0341 
   37000   -58292.551   -58292.551   -58634.038   -58634.038    330.27277    330.27277    45569.063    45569.063    1833.5924    1833.5924 
Loop time of 93.2897 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.926 ns/day, 25.914 hours/ns, 10.719 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 92.503     | 92.503     | 92.503     |   0.0 | 99.16
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.081115   | 0.081115   | 0.081115   |   0.0 |  0.09
Output  | 0.00014516 | 0.00014516 | 0.00014516 |   0.0 |  0.00
Modify  | 0.61367    | 0.61367    | 0.61367    |   0.0 |  0.66
Other   |            | 0.09161    |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      732866.0 ave      732866 max      732866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 732866
Ave neighs/atom = 91.608250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.002032411962, Press = 0.767768932331235
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -58292.551   -58292.551   -58634.038   -58634.038    330.27277    330.27277    45569.063    45569.063    1833.5924    1833.5924 
   38000   -58284.215   -58284.215   -58632.536   -58632.536    336.88324    336.88324    45603.479    45603.479   -1235.5279   -1235.5279 
Loop time of 90.1613 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.958 ns/day, 25.045 hours/ns, 11.091 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 89.404     | 89.404     | 89.404     |   0.0 | 99.16
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.077536   | 0.077536   | 0.077536   |   0.0 |  0.09
Output  | 0.00014779 | 0.00014779 | 0.00014779 |   0.0 |  0.00
Modify  | 0.59339    | 0.59339    | 0.59339    |   0.0 |  0.66
Other   |            | 0.08645    |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734158.0 ave      734158 max      734158 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734158
Ave neighs/atom = 91.769750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.01476190508, Press = 0.555172024632224
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -58284.215   -58284.215   -58632.536   -58632.536    336.88324    336.88324    45603.479    45603.479   -1235.5279   -1235.5279 
   39000   -58291.242   -58291.242   -58632.822   -58632.822    330.36362    330.36362    45577.161    45577.161    1249.8943    1249.8943 
Loop time of 92.1493 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.938 ns/day, 25.597 hours/ns, 10.852 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 91.372     | 91.372     | 91.372     |   0.0 | 99.16
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.077059   | 0.077059   | 0.077059   |   0.0 |  0.08
Output  | 0.00021424 | 0.00021424 | 0.00021424 |   0.0 |  0.00
Modify  | 0.6083     | 0.6083     | 0.6083     |   0.0 |  0.66
Other   |            | 0.09215    |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733112.0 ave      733112 max      733112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733112
Ave neighs/atom = 91.639000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.046536642545, Press = -0.543798163859634
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58291.242   -58291.242   -58632.822   -58632.822    330.36362    330.36362    45577.161    45577.161    1249.8943    1249.8943 
   40000   -58290.428   -58290.428   -58631.278   -58631.278    329.65745    329.65745    45593.797    45593.797   -622.96902   -622.96902 
Loop time of 94.2868 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.916 ns/day, 26.191 hours/ns, 10.606 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    | 93.472     | 93.472     | 93.472     |   0.0 | 99.14
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.08139    | 0.08139    | 0.08139    |   0.0 |  0.09
Output  | 0.00015014 | 0.00015014 | 0.00015014 |   0.0 |  0.00
Modify  | 0.63143    | 0.63143    | 0.63143    |   0.0 |  0.67
Other   |            | 0.1023     |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733982.0 ave      733982 max      733982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733982
Ave neighs/atom = 91.747750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.038612079548, Press = 1.98973805527149
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -58290.428   -58290.428   -58631.278   -58631.278    329.65745    329.65745    45593.797    45593.797   -622.96902   -622.96902 
   41000   -58286.528   -58286.528   -58634.668   -58634.668    336.70728    336.70728    45598.976    45598.976    -893.6186    -893.6186 
Loop time of 91.0356 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.949 ns/day, 25.288 hours/ns, 10.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 90.284     | 90.284     | 90.284     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074882   | 0.074882   | 0.074882   |   0.0 |  0.08
Output  | 0.0001434  | 0.0001434  | 0.0001434  |   0.0 |  0.00
Modify  | 0.59532    | 0.59532    | 0.59532    |   0.0 |  0.65
Other   |            | 0.08127    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733364.0 ave      733364 max      733364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733364
Ave neighs/atom = 91.670500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.050591388179, Press = -2.70492710719514
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58286.528   -58286.528   -58634.668   -58634.668    336.70728    336.70728    45598.976    45598.976    -893.6186    -893.6186 
   42000   -58294.951   -58294.951   -58634.451   -58634.451    328.35246    328.35246     45558.27     45558.27    2679.8124    2679.8124 
Loop time of 90.5348 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.954 ns/day, 25.149 hours/ns, 11.045 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 89.785     | 89.785     | 89.785     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075014   | 0.075014   | 0.075014   |   0.0 |  0.08
Output  | 0.00012436 | 0.00012436 | 0.00012436 |   0.0 |  0.00
Modify  | 0.59227    | 0.59227    | 0.59227    |   0.0 |  0.65
Other   |            | 0.08272    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733222.0 ave      733222 max      733222 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733222
Ave neighs/atom = 91.652750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.023811778404, Press = 2.74789413223761
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58294.951   -58294.951   -58634.451   -58634.451    328.35246    328.35246     45558.27     45558.27    2679.8124    2679.8124 
   43000   -58285.541   -58285.541   -58629.812   -58629.812    332.96604    332.96604    45608.468    45608.468   -1729.1342   -1729.1342 
Loop time of 89.8185 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.962 ns/day, 24.950 hours/ns, 11.134 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 89.074     | 89.074     | 89.074     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074619   | 0.074619   | 0.074619   |   0.0 |  0.08
Output  | 0.00012549 | 0.00012549 | 0.00012549 |   0.0 |  0.00
Modify  | 0.58836    | 0.58836    | 0.58836    |   0.0 |  0.66
Other   |            | 0.08107    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734888.0 ave      734888 max      734888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734888
Ave neighs/atom = 91.861000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.025106637815, Press = -0.400823780529334
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -58285.541   -58285.541   -58629.812   -58629.812    332.96604    332.96604    45608.468    45608.468   -1729.1342   -1729.1342 
   44000   -58283.791   -58283.791   -58632.282   -58632.282    337.04816    337.04816    45571.747    45571.747    1685.8022    1685.8022 
Loop time of 89.8192 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.962 ns/day, 24.950 hours/ns, 11.133 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 89.069     | 89.069     | 89.069     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.076269   | 0.076269   | 0.076269   |   0.0 |  0.08
Output  | 0.00013549 | 0.00013549 | 0.00013549 |   0.0 |  0.00
Modify  | 0.58992    | 0.58992    | 0.58992    |   0.0 |  0.66
Other   |            | 0.08355    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733250.0 ave      733250 max      733250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733250
Ave neighs/atom = 91.656250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.045409497949, Press = 0.40632880906381
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -58283.791   -58283.791   -58632.282   -58632.282    337.04816    337.04816    45571.747    45571.747    1685.8022    1685.8022 
   45000   -58290.675   -58290.675   -58635.191   -58635.191    333.20353    333.20353    45608.127    45608.127     -1922.36     -1922.36 
Loop time of 93.4328 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.925 ns/day, 25.954 hours/ns, 10.703 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 92.658     | 92.658     | 92.658     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.077252   | 0.077252   | 0.077252   |   0.0 |  0.08
Output  | 0.00012638 | 0.00012638 | 0.00012638 |   0.0 |  0.00
Modify  | 0.61114    | 0.61114    | 0.61114    |   0.0 |  0.65
Other   |            | 0.08586    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734320.0 ave      734320 max      734320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734320
Ave neighs/atom = 91.790000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.07880679115, Press = 0.508009656802398
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58290.675   -58290.675   -58635.191   -58635.191    333.20353    333.20353    45608.127    45608.127     -1922.36     -1922.36 
   46000    -58289.79    -58289.79   -58632.002   -58632.002    330.97465    330.97465    45567.185    45567.185    2107.0883    2107.0883 
Loop time of 90.9095 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.950 ns/day, 25.253 hours/ns, 11.000 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 90.164     | 90.164     | 90.164     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074307   | 0.074307   | 0.074307   |   0.0 |  0.08
Output  | 0.00013099 | 0.00013099 | 0.00013099 |   0.0 |  0.00
Modify  | 0.59171    | 0.59171    | 0.59171    |   0.0 |  0.65
Other   |            | 0.07942    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733090.0 ave      733090 max      733090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733090
Ave neighs/atom = 91.636250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.048952113167, Press = -0.787448821499172
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000    -58289.79    -58289.79   -58632.002   -58632.002    330.97465    330.97465    45567.185    45567.185    2107.0883    2107.0883 
   47000   -58294.277   -58294.277    -58639.12    -58639.12    333.51992    333.51992    45599.037    45599.037   -1183.4678   -1183.4678 
Loop time of 96.2973 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.897 ns/day, 26.749 hours/ns, 10.385 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.519     | 95.519     | 95.519     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.076038   | 0.076038   | 0.076038   |   0.0 |  0.08
Output  | 0.00012947 | 0.00012947 | 0.00012947 |   0.0 |  0.00
Modify  | 0.61987    | 0.61987    | 0.61987    |   0.0 |  0.64
Other   |            | 0.08197    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734410.0 ave      734410 max      734410 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734410
Ave neighs/atom = 91.801250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.039610203553, Press = 2.39069381359712
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -58294.277   -58294.277    -58639.12    -58639.12    333.51992    333.51992    45599.037    45599.037   -1183.4678   -1183.4678 
   48000   -58282.669   -58282.669   -58627.722   -58627.722    333.72247    333.72247    45597.242    45597.242    -547.8914    -547.8914 
Loop time of 96.2255 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.898 ns/day, 26.729 hours/ns, 10.392 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.45      | 95.45      | 95.45      |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075888   | 0.075888   | 0.075888   |   0.0 |  0.08
Output  | 0.00013163 | 0.00013163 | 0.00013163 |   0.0 |  0.00
Modify  | 0.61864    | 0.61864    | 0.61864    |   0.0 |  0.64
Other   |            | 0.0811     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733270.0 ave      733270 max      733270 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733270
Ave neighs/atom = 91.658750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.049733528982, Press = -3.45958631987306
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58282.669   -58282.669   -58627.722   -58627.722    333.72247    333.72247    45597.242    45597.242    -547.8914    -547.8914 
   49000   -58292.213   -58292.213   -58633.251   -58633.251    329.83938    329.83938    45571.315    45571.315    1494.2515    1494.2515 
Loop time of 96.2336 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.898 ns/day, 26.732 hours/ns, 10.391 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.458     | 95.458     | 95.458     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075799   | 0.075799   | 0.075799   |   0.0 |  0.08
Output  | 0.00013082 | 0.00013082 | 0.00013082 |   0.0 |  0.00
Modify  | 0.61846    | 0.61846    | 0.61846    |   0.0 |  0.64
Other   |            | 0.08136    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733512.0 ave      733512 max      733512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733512
Ave neighs/atom = 91.689000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.075411389182, Press = 1.92076955167829
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -58292.213   -58292.213   -58633.251   -58633.251    329.83938    329.83938    45571.315    45571.315    1494.2515    1494.2515 
   50000   -58278.613   -58278.613   -58624.567   -58624.567    334.59373    334.59373    45605.702    45605.702   -1256.9614   -1256.9614 
Loop time of 96.1901 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.898 ns/day, 26.719 hours/ns, 10.396 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.414     | 95.414     | 95.414     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075727   | 0.075727   | 0.075727   |   0.0 |  0.08
Output  | 0.00013147 | 0.00013147 | 0.00013147 |   0.0 |  0.00
Modify  | 0.6188     | 0.6188     | 0.6188     |   0.0 |  0.64
Other   |            | 0.08154    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734368.0 ave      734368 max      734368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734368
Ave neighs/atom = 91.796000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.104738577993, Press = -0.412108659854869
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -58278.613   -58278.613   -58624.567   -58624.567    334.59373    334.59373    45605.702    45605.702   -1256.9614   -1256.9614 
   51000   -58291.999   -58291.999   -58635.722   -58635.722    332.43629    332.43629    45569.031    45569.031    1655.0803    1655.0803 
Loop time of 96.1465 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.899 ns/day, 26.707 hours/ns, 10.401 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.37      | 95.37      | 95.37      |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075953   | 0.075953   | 0.075953   |   0.0 |  0.08
Output  | 0.00012856 | 0.00012856 | 0.00012856 |   0.0 |  0.00
Modify  | 0.61896    | 0.61896    | 0.61896    |   0.0 |  0.64
Other   |            | 0.08179    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733120.0 ave      733120 max      733120 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733120
Ave neighs/atom = 91.640000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.114178005592, Press = 0.549522787174191
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58291.999   -58291.999   -58635.722   -58635.722    332.43629    332.43629    45569.031    45569.031    1655.0803    1655.0803 
   52000   -58283.321   -58283.321   -58629.114   -58629.114    334.43797    334.43797    45616.778    45616.778   -2574.6169   -2574.6169 
Loop time of 89.6485 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.964 ns/day, 24.902 hours/ns, 11.155 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 88.922     | 88.922     | 88.922     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.072542   | 0.072542   | 0.072542   |   0.0 |  0.08
Output  | 0.00012602 | 0.00012602 | 0.00012602 |   0.0 |  0.00
Modify  | 0.57842    | 0.57842    | 0.57842    |   0.0 |  0.65
Other   |            | 0.07533    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734526.0 ave      734526 max      734526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734526
Ave neighs/atom = 91.815750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.136410762794, Press = 0.470888962884077
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -58283.321   -58283.321   -58629.114   -58629.114    334.43797    334.43797    45616.778    45616.778   -2574.6169   -2574.6169 
   53000    -58294.69    -58294.69   -58640.259   -58640.259    334.22169    334.22169    45540.748    45540.748    4123.3738    4123.3738 
Loop time of 89.5417 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.965 ns/day, 24.873 hours/ns, 11.168 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 88.815     | 88.815     | 88.815     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07257    | 0.07257    | 0.07257    |   0.0 |  0.08
Output  | 0.00012931 | 0.00012931 | 0.00012931 |   0.0 |  0.00
Modify  | 0.5785     | 0.5785     | 0.5785     |   0.0 |  0.65
Other   |            | 0.07509    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      732582.0 ave      732582 max      732582 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 732582
Ave neighs/atom = 91.572750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.135884778843, Press = -1.35151900666823
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000    -58294.69    -58294.69   -58640.259   -58640.259    334.22169    334.22169    45540.748    45540.748    4123.3738    4123.3738 
   54000   -58290.173   -58290.173   -58635.878   -58635.878    334.35261    334.35261    45603.889    45603.889   -1711.5483   -1711.5483 
Loop time of 86.6572 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.997 ns/day, 24.071 hours/ns, 11.540 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    | 85.955     | 85.955     | 85.955     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070691   | 0.070691   | 0.070691   |   0.0 |  0.08
Output  | 0.00012465 | 0.00012465 | 0.00012465 |   0.0 |  0.00
Modify  | 0.55939    | 0.55939    | 0.55939    |   0.0 |  0.65
Other   |            | 0.07167    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735360.0 ave      735360 max      735360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735360
Ave neighs/atom = 91.920000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.130612973863, Press = 2.10246658955829
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58290.173   -58290.173   -58635.878   -58635.878    334.35261    334.35261    45603.889    45603.889   -1711.5483   -1711.5483 
   55000   -58288.908   -58288.908   -58634.655   -58634.655    334.39395    334.39395    45587.556    45587.556    215.42881    215.42881 
Loop time of 85.2782 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.013 ns/day, 23.688 hours/ns, 11.726 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 84.587     | 84.587     | 84.587     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070177   | 0.070177   | 0.070177   |   0.0 |  0.08
Output  | 0.00012195 | 0.00012195 | 0.00012195 |   0.0 |  0.00
Modify  | 0.55068    | 0.55068    | 0.55068    |   0.0 |  0.65
Other   |            | 0.07008    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733176.0 ave      733176 max      733176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733176
Ave neighs/atom = 91.647000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.140384807479, Press = -0.890561423506669
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -58288.908   -58288.908   -58634.655   -58634.655    334.39395    334.39395    45587.556    45587.556    215.42881    215.42881 
   56000   -58290.395   -58290.395   -58635.648   -58635.648     333.9165     333.9165    45579.057    45579.057    758.70255    758.70255 
Loop time of 88.0936 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.981 ns/day, 24.470 hours/ns, 11.352 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 87.38      | 87.38      | 87.38      |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07147    | 0.07147    | 0.07147    |   0.0 |  0.08
Output  | 0.00010317 | 0.00010317 | 0.00010317 |   0.0 |  0.00
Modify  | 0.56921    | 0.56921    | 0.56921    |   0.0 |  0.65
Other   |            | 0.07321    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733894.0 ave      733894 max      733894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733894
Ave neighs/atom = 91.736750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.109848207994, Press = 1.42048998865565
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58290.395   -58290.395   -58635.648   -58635.648     333.9165     333.9165    45579.057    45579.057    758.70255    758.70255 
   57000    -58293.21    -58293.21   -58635.241   -58635.241    330.80024    330.80024    45609.249    45609.249   -1989.2393   -1989.2393 
Loop time of 91.8563 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.941 ns/day, 25.516 hours/ns, 10.887 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 91.106     | 91.106     | 91.106     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074531   | 0.074531   | 0.074531   |   0.0 |  0.08
Output  | 0.00012472 | 0.00012472 | 0.00012472 |   0.0 |  0.00
Modify  | 0.59604    | 0.59604    | 0.59604    |   0.0 |  0.65
Other   |            | 0.08007    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734196.0 ave      734196 max      734196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734196
Ave neighs/atom = 91.774500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.112709325751, Press = -0.776044266817557
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000    -58293.21    -58293.21   -58635.241   -58635.241    330.80024    330.80024    45609.249    45609.249   -1989.2393   -1989.2393 
   58000   -58286.695   -58286.695   -58634.558   -58634.558    336.44024    336.44024    45551.049    45551.049    3571.5579    3571.5579 
Loop time of 85.2198 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.014 ns/day, 23.672 hours/ns, 11.734 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 84.527     | 84.527     | 84.527     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070591   | 0.070591   | 0.070591   |   0.0 |  0.08
Output  | 0.00012595 | 0.00012595 | 0.00012595 |   0.0 |  0.00
Modify  | 0.55133    | 0.55133    | 0.55133    |   0.0 |  0.65
Other   |            | 0.07092    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      732660.0 ave      732660 max      732660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 732660
Ave neighs/atom = 91.582500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.117358171383, Press = 1.14779764068162
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -58286.695   -58286.695   -58634.558   -58634.558    336.44024    336.44024    45551.049    45551.049    3571.5579    3571.5579 
   59000   -58281.548   -58281.548   -58629.363   -58629.363      336.394      336.394    45649.828    45649.828   -5591.1902   -5591.1902 
Loop time of 85.3312 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.013 ns/day, 23.703 hours/ns, 11.719 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 84.641     | 84.641     | 84.641     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070299   | 0.070299   | 0.070299   |   0.0 |  0.08
Output  | 0.00012335 | 0.00012335 | 0.00012335 |   0.0 |  0.00
Modify  | 0.55024    | 0.55024    | 0.55024    |   0.0 |  0.64
Other   |            | 0.06985    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734900.0 ave      734900 max      734900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734900
Ave neighs/atom = 91.862500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
45588.5306833707

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0