# 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 3.565719366073609*${_u_distance}
variable latticeconst_converted equal 3.565719366073609*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.56571936607361
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 = 0.006 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_2005_SiC__MO_903987585848_005
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 45335.8204157622    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8204157622/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8204157622/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8204157622/(1*1*${_u_distance})
variable      V0_metal equal 45335.8204157622/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 45335.8204157622*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 45335.8204157622 Angstroms^3

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

variable temp_converted equal 293.15*${_u_temperature}
variable temp_converted equal 293.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 293.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "293.15 - 0.2"
variable      T_up  equal  "293.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_903987585848_005#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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58682.456   -58682.456   -58985.559   -58985.559       293.15       293.15     45335.82     45335.82    7141.0753    7141.0753 
    1000   -58351.028   -58351.028   -58663.098   -58663.098    301.82307    301.82307    45540.585    45540.585    2534.6788    2534.6788 
Loop time of 286.422 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.302 ns/day, 79.562 hours/ns, 3.491 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    | 284.38     | 284.38     | 284.38     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26886    | 0.26886    | 0.26886    |   0.0 |  0.09
Output  | 0.00027102 | 0.00027102 | 0.00027102 |   0.0 |  0.00
Modify  | 1.585      | 1.585      | 1.585      |   0.0 |  0.55
Other   |            | 0.1917     |            |       |  0.07

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:      688000.0 ave      688000 max      688000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688000
Ave neighs/atom = 86.000000
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -58351.028   -58351.028   -58663.098   -58663.098    301.82307    301.82307    45540.585    45540.585    2534.6788    2534.6788 
    2000   -58382.068   -58382.068   -58669.765   -58669.765    278.25027    278.25027    45557.364    45557.364   -70.462927   -70.462927 
Loop time of 287.362 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.301 ns/day, 79.823 hours/ns, 3.480 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    | 285.28     | 285.28     | 285.28     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27006    | 0.27006    | 0.27006    |   0.0 |  0.09
Output  | 0.00029866 | 0.00029866 | 0.00029866 |   0.0 |  0.00
Modify  | 1.6155     | 1.6155     | 1.6155     |   0.0 |  0.56
Other   |            | 0.1918     |            |       |  0.07

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:      688582.0 ave      688582 max      688582 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688582
Ave neighs/atom = 86.072750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -58382.068   -58382.068   -58669.765   -58669.765    278.25027    278.25027    45557.364    45557.364   -70.462927   -70.462927 
    3000   -58369.355   -58369.355   -58679.071   -58679.071    299.54585    299.54585     45575.11     45575.11   -1608.7917   -1608.7917 
Loop time of 287.434 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.301 ns/day, 79.843 hours/ns, 3.479 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    | 285.32     | 285.32     | 285.32     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27161    | 0.27161    | 0.27161    |   0.0 |  0.09
Output  | 0.00026095 | 0.00026095 | 0.00026095 |   0.0 |  0.00
Modify  | 1.6423     | 1.6423     | 1.6423     |   0.0 |  0.57
Other   |            | 0.1952     |            |       |  0.07

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:      688420.0 ave      688420 max      688420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688420
Ave neighs/atom = 86.052500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58369.355   -58369.355   -58679.071   -58679.071    299.54585    299.54585     45575.11     45575.11   -1608.7917   -1608.7917 
    4000   -58371.904   -58371.904   -58676.566   -58676.566    294.65789    294.65789    45575.521    45575.521   -1830.0197   -1830.0197 
Loop time of 242.732 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.356 ns/day, 67.425 hours/ns, 4.120 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.05     | 241.05     | 241.05     |   0.0 | 99.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2379     | 0.2379     | 0.2379     |   0.0 |  0.10
Output  | 0.00025377 | 0.00025377 | 0.00025377 |   0.0 |  0.00
Modify  | 1.2851     | 1.2851     | 1.2851     |   0.0 |  0.53
Other   |            | 0.1632     |            |       |  0.07

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:      688366.0 ave      688366 max      688366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688366
Ave neighs/atom = 86.045750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -58371.904   -58371.904   -58676.566   -58676.566    294.65789    294.65789    45575.521    45575.521   -1830.0197   -1830.0197 
    5000   -58376.787   -58376.787   -58670.732   -58670.732    284.29244    284.29244    45564.736    45564.736   -801.65444   -801.65444 
Loop time of 258.631 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.334 ns/day, 71.842 hours/ns, 3.867 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 256.81     | 256.81     | 256.81     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24943    | 0.24943    | 0.24943    |   0.0 |  0.10
Output  | 0.0002236  | 0.0002236  | 0.0002236  |   0.0 |  0.00
Modify  | 1.4015     | 1.4015     | 1.4015     |   0.0 |  0.54
Other   |            | 0.1747     |            |       |  0.07

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:      688414.0 ave      688414 max      688414 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688414
Ave neighs/atom = 86.051750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.017514225728, Press = 952.725271693066
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58376.787   -58376.787   -58670.732   -58670.732    284.29244    284.29244    45564.736    45564.736   -801.65444   -801.65444 
    6000   -58367.109   -58367.109   -58671.745   -58671.745    294.63202    294.63202    45534.314    45534.314    2513.5887    2513.5887 
Loop time of 269.875 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.320 ns/day, 74.965 hours/ns, 3.705 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    | 267.91     | 267.91     | 267.91     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26001    | 0.26001    | 0.26001    |   0.0 |  0.10
Output  | 0.00022219 | 0.00022219 | 0.00022219 |   0.0 |  0.00
Modify  | 1.5263     | 1.5263     | 1.5263     |   0.0 |  0.57
Other   |            | 0.1819     |            |       |  0.07

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:      688436.0 ave      688436 max      688436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688436
Ave neighs/atom = 86.054500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.774095638929, Press = 130.587391591082
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -58367.109   -58367.109   -58671.745   -58671.745    294.63202    294.63202    45534.314    45534.314    2513.5887    2513.5887 
    7000   -58378.158   -58378.158   -58678.384   -58678.384    290.36836    290.36836    45513.266    45513.266      4191.05      4191.05 
Loop time of 242.093 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.248 hours/ns, 4.131 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.38     | 240.38     | 240.38     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23932    | 0.23932    | 0.23932    |   0.0 |  0.10
Output  | 0.00022783 | 0.00022783 | 0.00022783 |   0.0 |  0.00
Modify  | 1.3105     | 1.3105     | 1.3105     |   0.0 |  0.54
Other   |            | 0.1658     |            |       |  0.07

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:      688378.0 ave      688378 max      688378 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688378
Ave neighs/atom = 86.047250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.962367548805, Press = 30.3316712686721
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -58378.158   -58378.158   -58678.384   -58678.384    290.36836    290.36836    45513.266    45513.266      4191.05      4191.05 
    8000   -58368.774   -58368.774   -58673.772   -58673.772    294.98307    294.98307    45547.006    45547.006    1202.9134    1202.9134 
Loop time of 251.018 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.344 ns/day, 69.727 hours/ns, 3.984 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 249.22     | 249.22     | 249.22     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24425    | 0.24425    | 0.24425    |   0.0 |  0.10
Output  | 0.00027374 | 0.00027374 | 0.00027374 |   0.0 |  0.00
Modify  | 1.3786     | 1.3786     | 1.3786     |   0.0 |  0.55
Other   |            | 0.1702     |            |       |  0.07

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:      688478.0 ave      688478 max      688478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688478
Ave neighs/atom = 86.059750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.088015152611, Press = 6.86134645756043
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -58368.774   -58368.774   -58673.772   -58673.772    294.98307    294.98307    45547.006    45547.006    1202.9134    1202.9134 
    9000   -58374.392   -58374.392   -58675.539   -58675.539    291.25814    291.25814    45561.745    45561.745   -426.47958   -426.47958 
Loop time of 243.548 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.355 ns/day, 67.652 hours/ns, 4.106 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.83     | 241.83     | 241.83     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23713    | 0.23713    | 0.23713    |   0.0 |  0.10
Output  | 0.00022437 | 0.00022437 | 0.00022437 |   0.0 |  0.00
Modify  | 1.3155     | 1.3155     | 1.3155     |   0.0 |  0.54
Other   |            | 0.1657     |            |       |  0.07

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:      688394.0 ave      688394 max      688394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688394
Ave neighs/atom = 86.049250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.014197985772, Press = 3.58194719558149
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -58374.392   -58374.392   -58675.539   -58675.539    291.25814    291.25814    45561.745    45561.745   -426.47958   -426.47958 
   10000   -58375.717   -58375.717   -58671.004   -58671.004    285.59063    285.59063    45574.343    45574.343   -1771.8496   -1771.8496 
Loop time of 241.918 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.200 hours/ns, 4.134 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.21     | 240.21     | 240.21     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23763    | 0.23763    | 0.23763    |   0.0 |  0.10
Output  | 0.00022456 | 0.00022456 | 0.00022456 |   0.0 |  0.00
Modify  | 1.3073     | 1.3073     | 1.3073     |   0.0 |  0.54
Other   |            | 0.1651     |            |       |  0.07

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:      688476.0 ave      688476 max      688476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688476
Ave neighs/atom = 86.059500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.108868200618, Press = 4.22652374879018
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -58375.717   -58375.717   -58671.004   -58671.004    285.59063    285.59063    45574.343    45574.343   -1771.8496   -1771.8496 
   11000   -58368.862   -58368.862   -58678.916   -58678.916    299.87292    299.87292    45587.668    45587.668   -2909.8587   -2909.8587 
Loop time of 242.113 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.254 hours/ns, 4.130 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.4      | 240.4      | 240.4      |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.238      | 0.238      | 0.238      |   0.0 |  0.10
Output  | 0.00027369 | 0.00027369 | 0.00027369 |   0.0 |  0.00
Modify  | 1.3103     | 1.3103     | 1.3103     |   0.0 |  0.54
Other   |            | 0.1646     |            |       |  0.07

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:      688420.0 ave      688420 max      688420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688420
Ave neighs/atom = 86.052500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.998685195168, Press = 12.1734591296232
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58368.862   -58368.862   -58678.916   -58678.916    299.87292    299.87292    45587.668    45587.668   -2909.8587   -2909.8587 
   12000   -58377.433   -58377.433   -58677.537   -58677.537    290.25018    290.25018    45562.303    45562.303   -661.41178   -661.41178 
Loop time of 242.193 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.276 hours/ns, 4.129 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.48     | 240.48     | 240.48     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23954    | 0.23954    | 0.23954    |   0.0 |  0.10
Output  | 0.00023122 | 0.00023122 | 0.00023122 |   0.0 |  0.00
Modify  | 1.3116     | 1.3116     | 1.3116     |   0.0 |  0.54
Other   |            | 0.1649     |            |       |  0.07

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:      688428.0 ave      688428 max      688428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688428
Ave neighs/atom = 86.053500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.961685789991, Press = 20.4617517740024
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -58377.433   -58377.433   -58677.537   -58677.537    290.25018    290.25018    45562.303    45562.303   -661.41178   -661.41178 
   13000   -58370.161   -58370.161   -58677.139   -58677.139    296.89719    296.89719    45536.862    45536.862    2159.3436    2159.3436 
Loop time of 243.601 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.355 ns/day, 67.667 hours/ns, 4.105 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.87     | 241.87     | 241.87     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24047    | 0.24047    | 0.24047    |   0.0 |  0.10
Output  | 0.00022702 | 0.00022702 | 0.00022702 |   0.0 |  0.00
Modify  | 1.3265     | 1.3265     | 1.3265     |   0.0 |  0.54
Other   |            | 0.1669     |            |       |  0.07

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:      688416.0 ave      688416 max      688416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688416
Ave neighs/atom = 86.052000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.849785793985, Press = 13.8867896881906
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -58370.161   -58370.161   -58677.139   -58677.139    296.89719    296.89719    45536.862    45536.862    2159.3436    2159.3436 
   14000   -58382.128   -58382.128   -58683.649   -58683.649    291.62015    291.62015    45524.271    45524.271    2943.4466    2943.4466 
Loop time of 242.03 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.231 hours/ns, 4.132 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.32     | 240.32     | 240.32     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23684    | 0.23684    | 0.23684    |   0.0 |  0.10
Output  | 0.0002243  | 0.0002243  | 0.0002243  |   0.0 |  0.00
Modify  | 1.3065     | 1.3065     | 1.3065     |   0.0 |  0.54
Other   |            | 0.1644     |            |       |  0.07

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:      688462.0 ave      688462 max      688462 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688462
Ave neighs/atom = 86.057750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.830839545432, Press = 5.32412935693347
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58382.128   -58382.128   -58683.649   -58683.649    291.62015    291.62015    45524.271    45524.271    2943.4466    2943.4466 
   15000    -58370.22    -58370.22   -58670.298   -58670.298    290.22437    290.22437    45543.676    45543.676    1545.1206    1545.1206 
Loop time of 242.008 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.224 hours/ns, 4.132 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.3      | 240.3      | 240.3      |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23732    | 0.23732    | 0.23732    |   0.0 |  0.10
Output  | 0.00022759 | 0.00022759 | 0.00022759 |   0.0 |  0.00
Modify  | 1.3092     | 1.3092     | 1.3092     |   0.0 |  0.54
Other   |            | 0.1646     |            |       |  0.07

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:      688462.0 ave      688462 max      688462 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688462
Ave neighs/atom = 86.057750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.762488664091, Press = 0.283258851524579
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000    -58370.22    -58370.22   -58670.298   -58670.298    290.22437    290.22437    45543.676    45543.676    1545.1206    1545.1206 
   16000   -58374.077   -58374.077   -58677.291   -58677.291    293.25762    293.25762    45564.081    45564.081    -570.8641    -570.8641 
Loop time of 241.511 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.086 hours/ns, 4.141 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.81     | 239.81     | 239.81     |   0.0 | 99.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23531    | 0.23531    | 0.23531    |   0.0 |  0.10
Output  | 0.00022892 | 0.00022892 | 0.00022892 |   0.0 |  0.00
Modify  | 1.3025     | 1.3025     | 1.3025     |   0.0 |  0.54
Other   |            | 0.1638     |            |       |  0.07

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:      688472.0 ave      688472 max      688472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688472
Ave neighs/atom = 86.059000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.74988923546, Press = -1.18133600693206
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58374.077   -58374.077   -58677.291   -58677.291    293.25762    293.25762    45564.081    45564.081    -570.8641    -570.8641 
   17000   -58368.583   -58368.583   -58670.591   -58670.591    292.09153    292.09153    45587.817    45587.817   -2639.4914   -2639.4914 
Loop time of 253.448 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.341 ns/day, 70.402 hours/ns, 3.946 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 251.63     | 251.63     | 251.63     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24491    | 0.24491    | 0.24491    |   0.0 |  0.10
Output  | 0.00026808 | 0.00026808 | 0.00026808 |   0.0 |  0.00
Modify  | 1.3986     | 1.3986     | 1.3986     |   0.0 |  0.55
Other   |            | 0.1716     |            |       |  0.07

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:      688396.0 ave      688396 max      688396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688396
Ave neighs/atom = 86.049500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.799662461429, Press = 0.593624763324902
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -58368.583   -58368.583   -58670.591   -58670.591    292.09153    292.09153    45587.817    45587.817   -2639.4914   -2639.4914 
   18000   -58374.926   -58374.926   -58674.721   -58674.721    289.95077    289.95077    45593.392    45593.392   -3546.7516   -3546.7516 
Loop time of 241.806 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.168 hours/ns, 4.136 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.1      | 240.1      | 240.1      |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23746    | 0.23746    | 0.23746    |   0.0 |  0.10
Output  | 0.00022484 | 0.00022484 | 0.00022484 |   0.0 |  0.00
Modify  | 1.307      | 1.307      | 1.307      |   0.0 |  0.54
Other   |            | 0.1627     |            |       |  0.07

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:      688418.0 ave      688418 max      688418 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688418
Ave neighs/atom = 86.052250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.879696277352, Press = 5.770127149534
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -58374.926   -58374.926   -58674.721   -58674.721    289.95077    289.95077    45593.392    45593.392   -3546.7516   -3546.7516 
   19000   -58369.948   -58369.948   -58673.118   -58673.118    293.21533    293.21533    45570.388    45570.388   -1169.4974   -1169.4974 
Loop time of 241.068 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 66.963 hours/ns, 4.148 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.37     | 239.37     | 239.37     |   0.0 | 99.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2322     | 0.2322     | 0.2322     |   0.0 |  0.10
Output  | 0.00022878 | 0.00022878 | 0.00022878 |   0.0 |  0.00
Modify  | 1.2992     | 1.2992     | 1.2992     |   0.0 |  0.54
Other   |            | 0.1632     |            |       |  0.07

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:      688388.0 ave      688388 max      688388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688388
Ave neighs/atom = 86.048500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.969452129883, Press = 9.28427653847773
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58369.948   -58369.948   -58673.118   -58673.118    293.21533    293.21533    45570.388    45570.388   -1169.4974   -1169.4974 
   20000   -58378.367   -58378.367   -58676.119   -58676.119    287.97498    287.97498    45543.049    45543.049    1310.6153    1310.6153 
Loop time of 253.011 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.341 ns/day, 70.281 hours/ns, 3.952 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 251.18     | 251.18     | 251.18     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24611    | 0.24611    | 0.24611    |   0.0 |  0.10
Output  | 0.00022637 | 0.00022637 | 0.00022637 |   0.0 |  0.00
Modify  | 1.4078     | 1.4078     | 1.4078     |   0.0 |  0.56
Other   |            | 0.1729     |            |       |  0.07

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:      688426.0 ave      688426 max      688426 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688426
Ave neighs/atom = 86.053250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.953659225382, Press = 5.86684277474482
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58378.367   -58378.367   -58676.119   -58676.119    287.97498    287.97498    45543.049    45543.049    1310.6153    1310.6153 
   21000   -58372.218   -58372.218    -58676.19    -58676.19    293.99098    293.99098    45545.153    45545.153    1393.1192    1393.1192 
Loop time of 257.629 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.335 ns/day, 71.564 hours/ns, 3.882 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 255.79     | 255.79     | 255.79     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24706    | 0.24706    | 0.24706    |   0.0 |  0.10
Output  | 0.0003744  | 0.0003744  | 0.0003744  |   0.0 |  0.00
Modify  | 1.4178     | 1.4178     | 1.4178     |   0.0 |  0.55
Other   |            | 0.1742     |            |       |  0.07

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:      688480.0 ave      688480 max      688480 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688480
Ave neighs/atom = 86.060000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.946650756092, Press = 3.42224664379026
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -58372.218   -58372.218    -58676.19    -58676.19    293.99098    293.99098    45545.153    45545.153    1393.1192    1393.1192 
   22000   -58376.316   -58376.316   -58674.806   -58674.806    288.68902    288.68902    45547.493    45547.493    898.87956    898.87956 
Loop time of 285.196 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.303 ns/day, 79.221 hours/ns, 3.506 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 283.08     | 283.08     | 283.08     |   0.0 | 99.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26979    | 0.26979    | 0.26979    |   0.0 |  0.09
Output  | 0.000278   | 0.000278   | 0.000278   |   0.0 |  0.00
Modify  | 1.6506     | 1.6506     | 1.6506     |   0.0 |  0.58
Other   |            | 0.1903     |            |       |  0.07

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:      688416.0 ave      688416 max      688416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688416
Ave neighs/atom = 86.052000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.85984800377, Press = 2.03703467820238
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -58376.316   -58376.316   -58674.806   -58674.806    288.68902    288.68902    45547.493    45547.493    898.87956    898.87956 
   23000   -58373.413   -58373.413   -58678.789   -58678.789    295.34871    295.34871    45557.668    45557.668    121.34267    121.34267 
Loop time of 242.109 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.252 hours/ns, 4.130 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    | 240.39     | 240.39     | 240.39     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23751    | 0.23751    | 0.23751    |   0.0 |  0.10
Output  | 0.00027215 | 0.00027215 | 0.00027215 |   0.0 |  0.00
Modify  | 1.3135     | 1.3135     | 1.3135     |   0.0 |  0.54
Other   |            | 0.1673     |            |       |  0.07

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:      688442.0 ave      688442 max      688442 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688442
Ave neighs/atom = 86.055250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.865326514905, Press = -0.971077302416995
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58373.413   -58373.413   -58678.789   -58678.789    295.34871    295.34871    45557.668    45557.668    121.34267    121.34267 
   24000   -58371.421   -58371.421   -58674.611   -58674.611    293.23383    293.23383    45595.617    45595.617   -3602.6931   -3602.6931 
Loop time of 242.523 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.356 ns/day, 67.368 hours/ns, 4.123 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.8      | 240.8      | 240.8      |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24125    | 0.24125    | 0.24125    |   0.0 |  0.10
Output  | 0.00028237 | 0.00028237 | 0.00028237 |   0.0 |  0.00
Modify  | 1.3209     | 1.3209     | 1.3209     |   0.0 |  0.54
Other   |            | 0.1643     |            |       |  0.07

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:      688404.0 ave      688404 max      688404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688404
Ave neighs/atom = 86.050500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.800132541045, Press = -1.69675972825049
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58371.421   -58371.421   -58674.611   -58674.611    293.23383    293.23383    45595.617    45595.617   -3602.6931   -3602.6931 
   25000   -58377.795   -58377.795   -58679.795   -58679.795    292.08324    292.08324    45588.245    45588.245   -2985.8812   -2985.8812 
Loop time of 274.113 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.315 ns/day, 76.143 hours/ns, 3.648 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    | 272.11     | 272.11     | 272.11     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26215    | 0.26215    | 0.26215    |   0.0 |  0.10
Output  | 0.00022555 | 0.00022555 | 0.00022555 |   0.0 |  0.00
Modify  | 1.5531     | 1.5531     | 1.5531     |   0.0 |  0.57
Other   |            | 0.183      |            |       |  0.07

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:      688390.0 ave      688390 max      688390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688390
Ave neighs/atom = 86.048750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.801001559411, Press = 2.56076569938086
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -58377.795   -58377.795   -58679.795   -58679.795    292.08324    292.08324    45588.245    45588.245   -2985.8812   -2985.8812 
   26000   -58367.069   -58367.069   -58676.019   -58676.019    298.80505    298.80505    45573.648    45573.648   -1412.5971   -1412.5971 
Loop time of 285.243 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.303 ns/day, 79.234 hours/ns, 3.506 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 283.14     | 283.14     | 283.14     |   0.0 | 99.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27056    | 0.27056    | 0.27056    |   0.0 |  0.09
Output  | 0.00052257 | 0.00052257 | 0.00052257 |   0.0 |  0.00
Modify  | 1.6446     | 1.6446     | 1.6446     |   0.0 |  0.58
Other   |            | 0.1893     |            |       |  0.07

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:      688376.0 ave      688376 max      688376 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688376
Ave neighs/atom = 86.047000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.807887025819, Press = 3.8344293378006
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58367.069   -58367.069   -58676.019   -58676.019    298.80505    298.80505    45573.648    45573.648   -1412.5971   -1412.5971 
   27000    -58371.36    -58371.36   -58678.128   -58678.128    296.69442    296.69442    45556.746    45556.746    79.282883    79.282883 
Loop time of 273.991 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.315 ns/day, 76.109 hours/ns, 3.650 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 271.98     | 271.98     | 271.98     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25901    | 0.25901    | 0.25901    |   0.0 |  0.09
Output  | 0.00030805 | 0.00030805 | 0.00030805 |   0.0 |  0.00
Modify  | 1.5636     | 1.5636     | 1.5636     |   0.0 |  0.57
Other   |            | 0.1839     |            |       |  0.07

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:      688348.0 ave      688348 max      688348 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688348
Ave neighs/atom = 86.043500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.800384015205, Press = 3.93066101876233
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000    -58371.36    -58371.36   -58678.128   -58678.128    296.69442    296.69442    45556.746    45556.746    79.282883    79.282883 
   28000   -58375.487   -58375.487     -58675.8     -58675.8    290.45237    290.45237    45539.358    45539.358    1647.8205    1647.8205 
Loop time of 286.961 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.301 ns/day, 79.711 hours/ns, 3.485 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 284.84     | 284.84     | 284.84     |   0.0 | 99.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27102    | 0.27102    | 0.27102    |   0.0 |  0.09
Output  | 0.00034833 | 0.00034833 | 0.00034833 |   0.0 |  0.00
Modify  | 1.6547     | 1.6547     | 1.6547     |   0.0 |  0.58
Other   |            | 0.1908     |            |       |  0.07

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:      688466.0 ave      688466 max      688466 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688466
Ave neighs/atom = 86.058250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.793892020605, Press = 3.7600073933423
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58375.487   -58375.487     -58675.8     -58675.8    290.45237    290.45237    45539.358    45539.358    1647.8205    1647.8205 
   29000   -58369.532   -58369.532   -58676.893   -58676.893    297.26805    297.26805    45503.093    45503.093     5183.513     5183.513 
Loop time of 249.841 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.346 ns/day, 69.400 hours/ns, 4.003 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 248.07     | 248.07     | 248.07     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24317    | 0.24317    | 0.24317    |   0.0 |  0.10
Output  | 0.00022599 | 0.00022599 | 0.00022599 |   0.0 |  0.00
Modify  | 1.3593     | 1.3593     | 1.3593     |   0.0 |  0.54
Other   |            | 0.1661     |            |       |  0.07

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:      688448.0 ave      688448 max      688448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688448
Ave neighs/atom = 86.056000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.809452405727, Press = 1.81262839553005
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -58369.532   -58369.532   -58676.893   -58676.893    297.26805    297.26805    45503.093    45503.093     5183.513     5183.513 
   30000   -58375.588   -58375.588   -58679.846   -58679.846      294.267      294.267    45536.367    45536.367    1942.4122    1942.4122 
Loop time of 242.485 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.356 ns/day, 67.357 hours/ns, 4.124 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    | 240.76     | 240.76     | 240.76     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23956    | 0.23956    | 0.23956    |   0.0 |  0.10
Output  | 0.00022253 | 0.00022253 | 0.00022253 |   0.0 |  0.00
Modify  | 1.3154     | 1.3154     | 1.3154     |   0.0 |  0.54
Other   |            | 0.1654     |            |       |  0.07

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:      688488.0 ave      688488 max      688488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688488
Ave neighs/atom = 86.061000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.86821844119, Press = -1.07071809815434
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -58375.588   -58375.588   -58679.846   -58679.846      294.267      294.267    45536.367    45536.367    1942.4122    1942.4122 
   31000    -58371.96    -58371.96   -58672.669   -58672.669    290.83494    290.83494    45567.723    45567.723   -982.90413   -982.90413 
Loop time of 254.34 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.340 ns/day, 70.650 hours/ns, 3.932 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    | 252.52     | 252.52     | 252.52     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24901    | 0.24901    | 0.24901    |   0.0 |  0.10
Output  | 0.00022408 | 0.00022408 | 0.00022408 |   0.0 |  0.00
Modify  | 1.403      | 1.403      | 1.403      |   0.0 |  0.55
Other   |            | 0.1714     |            |       |  0.07

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:      688436.0 ave      688436 max      688436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688436
Ave neighs/atom = 86.054500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.884620796792, Press = -0.00139921948738067
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000    -58371.96    -58371.96   -58672.669   -58672.669    290.83494    290.83494    45567.723    45567.723   -982.90413   -982.90413 
   32000   -58379.919   -58379.919   -58678.178   -58678.178    288.46559    288.46559    45577.381    45577.381   -2086.5196   -2086.5196 
Loop time of 253.954 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.340 ns/day, 70.543 hours/ns, 3.938 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 252.14     | 252.14     | 252.14     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24688    | 0.24688    | 0.24688    |   0.0 |  0.10
Output  | 0.00022687 | 0.00022687 | 0.00022687 |   0.0 |  0.00
Modify  | 1.3991     | 1.3991     | 1.3991     |   0.0 |  0.55
Other   |            | 0.1706     |            |       |  0.07

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:      688474.0 ave      688474 max      688474 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688474
Ave neighs/atom = 86.059250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.849473283974, Press = 1.23608637914469
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -58379.919   -58379.919   -58678.178   -58678.178    288.46559    288.46559    45577.381    45577.381   -2086.5196   -2086.5196 
   33000   -58370.226   -58370.226   -58673.512   -58673.512     293.3273     293.3273    45577.921    45577.921   -1897.4777   -1897.4777 
Loop time of 241.805 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.168 hours/ns, 4.136 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.1      | 240.1      | 240.1      |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23768    | 0.23768    | 0.23768    |   0.0 |  0.10
Output  | 0.00022329 | 0.00022329 | 0.00022329 |   0.0 |  0.00
Modify  | 1.3088     | 1.3088     | 1.3088     |   0.0 |  0.54
Other   |            | 0.1634     |            |       |  0.07

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:      688414.0 ave      688414 max      688414 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688414
Ave neighs/atom = 86.051750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.849029818372, Press = 2.6298467522337
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -58370.226   -58370.226   -58673.512   -58673.512     293.3273     293.3273    45577.921    45577.921   -1897.4777   -1897.4777 
   34000   -58379.672   -58379.672   -58679.443   -58679.443     289.9275     289.9275    45557.166    45557.166   -48.798738   -48.798738 
Loop time of 241.701 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.139 hours/ns, 4.137 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.99     | 239.99     | 239.99     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23665    | 0.23665    | 0.23665    |   0.0 |  0.10
Output  | 0.00022472 | 0.00022472 | 0.00022472 |   0.0 |  0.00
Modify  | 1.3116     | 1.3116     | 1.3116     |   0.0 |  0.54
Other   |            | 0.1642     |            |       |  0.07

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:      688440.0 ave      688440 max      688440 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688440
Ave neighs/atom = 86.055000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.821866545102, Press = 5.27436904184175
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -58379.672   -58379.672   -58679.443   -58679.443     289.9275     289.9275    45557.166    45557.166   -48.798738   -48.798738 
   35000   -58373.208   -58373.208   -58679.676   -58679.676    296.40482    296.40482    45510.119    45510.119    4351.3248    4351.3248 
Loop time of 242.136 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.260 hours/ns, 4.130 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.43     | 240.43     | 240.43     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2373     | 0.2373     | 0.2373     |   0.0 |  0.10
Output  | 0.00023502 | 0.00023502 | 0.00023502 |   0.0 |  0.00
Modify  | 1.3071     | 1.3071     | 1.3071     |   0.0 |  0.54
Other   |            | 0.1632     |            |       |  0.07

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:      688424.0 ave      688424 max      688424 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688424
Ave neighs/atom = 86.053000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.826292520597, Press = 4.7950467217958
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58373.208   -58373.208   -58679.676   -58679.676    296.40482    296.40482    45510.119    45510.119    4351.3248    4351.3248 
   36000   -58373.131   -58373.131   -58680.734   -58680.734    297.50277    297.50277    45531.761    45531.761    2430.7982    2430.7982 
Loop time of 242.224 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.285 hours/ns, 4.128 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.52     | 240.52     | 240.52     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23608    | 0.23608    | 0.23608    |   0.0 |  0.10
Output  | 0.00026596 | 0.00026596 | 0.00026596 |   0.0 |  0.00
Modify  | 1.3088     | 1.3088     | 1.3088     |   0.0 |  0.54
Other   |            | 0.1633     |            |       |  0.07

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:      688486.0 ave      688486 max      688486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688486
Ave neighs/atom = 86.060750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.817272514837, Press = 1.48683566328902
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58373.131   -58373.131   -58680.734   -58680.734    297.50277    297.50277    45531.761    45531.761    2430.7982    2430.7982 
   37000   -58378.136   -58378.136   -58676.889   -58676.889     288.9432     288.9432    45547.189    45547.189    796.95318    796.95318 
Loop time of 241.962 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.212 hours/ns, 4.133 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.26     | 240.26     | 240.26     |   0.0 | 99.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23679    | 0.23679    | 0.23679    |   0.0 |  0.10
Output  | 0.00023188 | 0.00023188 | 0.00023188 |   0.0 |  0.00
Modify  | 1.3016     | 1.3016     | 1.3016     |   0.0 |  0.54
Other   |            | 0.1626     |            |       |  0.07

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:      688476.0 ave      688476 max      688476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688476
Ave neighs/atom = 86.059500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.824539243688, Press = 0.277846872737993
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -58378.136   -58378.136   -58676.889   -58676.889     288.9432     288.9432    45547.189    45547.189    796.95318    796.95318 
   38000   -58370.222   -58370.222   -58676.755   -58676.755    296.46763    296.46763     45571.82     45571.82   -1281.3562   -1281.3562 
Loop time of 241.634 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.121 hours/ns, 4.138 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.93     | 239.93     | 239.93     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23637    | 0.23637    | 0.23637    |   0.0 |  0.10
Output  | 0.00027999 | 0.00027999 | 0.00027999 |   0.0 |  0.00
Modify  | 1.3042     | 1.3042     | 1.3042     |   0.0 |  0.54
Other   |            | 0.1646     |            |       |  0.07

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:      688462.0 ave      688462 max      688462 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688462
Ave neighs/atom = 86.057750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.806341302476, Press = 0.180574216709655
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -58370.222   -58370.222   -58676.755   -58676.755    296.46763    296.46763     45571.82     45571.82   -1281.3562   -1281.3562 
   39000   -58383.644   -58383.644   -58680.826   -58680.826    287.42392    287.42392    45590.295    45590.295   -3445.6415   -3445.6415 
Loop time of 241.593 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.109 hours/ns, 4.139 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.89     | 239.89     | 239.89     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2338     | 0.2338     | 0.2338     |   0.0 |  0.10
Output  | 0.00027422 | 0.00027422 | 0.00027422 |   0.0 |  0.00
Modify  | 1.3086     | 1.3086     | 1.3086     |   0.0 |  0.54
Other   |            | 0.1644     |            |       |  0.07

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:      688454.0 ave      688454 max      688454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688454
Ave neighs/atom = 86.056750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.782096960408, Press = 1.11791996288508
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58383.644   -58383.644   -58680.826   -58680.826    287.42392    287.42392    45590.295    45590.295   -3445.6415   -3445.6415 
   40000   -58372.125   -58372.125   -58675.352   -58675.352    293.27033    293.27033     45600.74     45600.74   -4056.4636   -4056.4636 
Loop time of 241.58 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.106 hours/ns, 4.139 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.87     | 239.87     | 239.87     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23634    | 0.23634    | 0.23634    |   0.0 |  0.10
Output  | 0.00022743 | 0.00022743 | 0.00022743 |   0.0 |  0.00
Modify  | 1.3105     | 1.3105     | 1.3105     |   0.0 |  0.54
Other   |            | 0.1638     |            |       |  0.07

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:      688356.0 ave      688356 max      688356 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688356
Ave neighs/atom = 86.044500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.782393647025, Press = 3.95248011805194
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -58372.125   -58372.125   -58675.352   -58675.352    293.27033    293.27033     45600.74     45600.74   -4056.4636   -4056.4636 
   41000   -58372.235   -58372.235   -58673.083   -58673.083    290.96911    290.96911    45554.738    45554.738    365.70629    365.70629 
Loop time of 241.649 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.125 hours/ns, 4.138 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.94     | 239.94     | 239.94     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23585    | 0.23585    | 0.23585    |   0.0 |  0.10
Output  | 0.00022319 | 0.00022319 | 0.00022319 |   0.0 |  0.00
Modify  | 1.3094     | 1.3094     | 1.3094     |   0.0 |  0.54
Other   |            | 0.1636     |            |       |  0.07

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:      688376.0 ave      688376 max      688376 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688376
Ave neighs/atom = 86.047000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.786065994446, Press = 3.21494908283129
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58372.235   -58372.235   -58673.083   -58673.083    290.96911    290.96911    45554.738    45554.738    365.70629    365.70629 
   42000   -58378.327   -58378.327   -58676.607   -58676.607    288.48547    288.48547    45541.303    45541.303    1439.2281    1439.2281 
Loop time of 241.832 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.176 hours/ns, 4.135 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.12     | 240.12     | 240.12     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23632    | 0.23632    | 0.23632    |   0.0 |  0.10
Output  | 0.0002247  | 0.0002247  | 0.0002247  |   0.0 |  0.00
Modify  | 1.3094     | 1.3094     | 1.3094     |   0.0 |  0.54
Other   |            | 0.1649     |            |       |  0.07

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:      688458.0 ave      688458 max      688458 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688458
Ave neighs/atom = 86.057250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.790327282635, Press = 2.30692948065217
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58378.327   -58378.327   -58676.607   -58676.607    288.48547    288.48547    45541.303    45541.303    1439.2281    1439.2281 
   43000   -58371.447   -58371.447   -58677.441   -58677.441    295.94662    295.94662    45537.844    45537.844    1882.0909    1882.0909 
Loop time of 241.772 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.159 hours/ns, 4.136 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.06     | 240.06     | 240.06     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23487    | 0.23487    | 0.23487    |   0.0 |  0.10
Output  | 0.00022198 | 0.00022198 | 0.00022198 |   0.0 |  0.00
Modify  | 1.3081     | 1.3081     | 1.3081     |   0.0 |  0.54
Other   |            | 0.1649     |            |       |  0.07

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:      688496.0 ave      688496 max      688496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688496
Ave neighs/atom = 86.062000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.774716602789, Press = 1.38331091665357
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -58371.447   -58371.447   -58677.441   -58677.441    295.94662    295.94662    45537.844    45537.844    1882.0909    1882.0909 
   44000   -58378.789   -58378.789    -58678.08    -58678.08     289.4627     289.4627    45540.547    45540.547    1516.8157    1516.8157 
Loop time of 241.849 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.180 hours/ns, 4.135 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.14     | 240.14     | 240.14     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23514    | 0.23514    | 0.23514    |   0.0 |  0.10
Output  | 0.00022271 | 0.00022271 | 0.00022271 |   0.0 |  0.00
Modify  | 1.3091     | 1.3091     | 1.3091     |   0.0 |  0.54
Other   |            | 0.1647     |            |       |  0.07

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:      688444.0 ave      688444 max      688444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688444
Ave neighs/atom = 86.055500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.758037733393, Press = -0.0996512438637846
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -58378.789   -58378.789    -58678.08    -58678.08     289.4627     289.4627    45540.547    45540.547    1516.8157    1516.8157 
   45000   -58371.708   -58371.708   -58674.897   -58674.897    293.23325    293.23325    45574.911    45574.911   -1583.8076   -1583.8076 
Loop time of 266.11 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.325 ns/day, 73.919 hours/ns, 3.758 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    | 264.18     | 264.18     | 264.18     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25673    | 0.25673    | 0.25673    |   0.0 |  0.10
Output  | 0.00022839 | 0.00022839 | 0.00022839 |   0.0 |  0.00
Modify  | 1.4974     | 1.4974     | 1.4974     |   0.0 |  0.56
Other   |            | 0.1788     |            |       |  0.07

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:      688428.0 ave      688428 max      688428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688428
Ave neighs/atom = 86.053500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.730019780395, Press = -1.56597998265514
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58371.708   -58371.708   -58674.897   -58674.897    293.23325    293.23325    45574.911    45574.911   -1583.8076   -1583.8076 
   46000   -58378.209   -58378.209   -58679.572   -58679.572    291.46641    291.46641    45584.419    45584.419   -2860.0117   -2860.0117 
Loop time of 250.466 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.345 ns/day, 69.574 hours/ns, 3.993 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 248.66     | 248.66     | 248.66     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24544    | 0.24544    | 0.24544    |   0.0 |  0.10
Output  | 0.00022125 | 0.00022125 | 0.00022125 |   0.0 |  0.00
Modify  | 1.391      | 1.391      | 1.391      |   0.0 |  0.56
Other   |            | 0.17       |            |       |  0.07

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:      688370.0 ave      688370 max      688370 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688370
Ave neighs/atom = 86.046250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.731096912725, Press = 0.782470443904698
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -58378.209   -58378.209   -58679.572   -58679.572    291.46641    291.46641    45584.419    45584.419   -2860.0117   -2860.0117 
   47000   -58369.217   -58369.217   -58673.472   -58673.472    294.26438    294.26438    45571.833    45571.833   -1158.1707   -1158.1707 
Loop time of 241.342 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.039 hours/ns, 4.143 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.63     | 239.63     | 239.63     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23581    | 0.23581    | 0.23581    |   0.0 |  0.10
Output  | 0.0002246  | 0.0002246  | 0.0002246  |   0.0 |  0.00
Modify  | 1.3078     | 1.3078     | 1.3078     |   0.0 |  0.54
Other   |            | 0.165      |            |       |  0.07

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:      688362.0 ave      688362 max      688362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688362
Ave neighs/atom = 86.045250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.733513974656, Press = 1.72587044341233
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -58369.217   -58369.217   -58673.472   -58673.472    294.26438    294.26438    45571.833    45571.833   -1158.1707   -1158.1707 
   48000   -58374.741   -58374.741   -58678.529   -58678.529    293.81197    293.81197    45557.487    45557.487   -217.82848   -217.82848 
Loop time of 255.795 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.338 ns/day, 71.054 hours/ns, 3.909 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 253.96     | 253.96     | 253.96     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24614    | 0.24614    | 0.24614    |   0.0 |  0.10
Output  | 0.00027625 | 0.00027625 | 0.00027625 |   0.0 |  0.00
Modify  | 1.4176     | 1.4176     | 1.4176     |   0.0 |  0.55
Other   |            | 0.1731     |            |       |  0.07

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:      688372.0 ave      688372 max      688372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688372
Ave neighs/atom = 86.046500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.754398065184, Press = 2.13961332050783
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58374.741   -58374.741   -58678.529   -58678.529    293.81197    293.81197    45557.487    45557.487   -217.82848   -217.82848 
   49000   -58371.649   -58371.649   -58676.311   -58676.311    294.65821    294.65821    45537.145    45537.145    1909.5541    1909.5541 
Loop time of 263.58 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.328 ns/day, 73.217 hours/ns, 3.794 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 261.68     | 261.68     | 261.68     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25338    | 0.25338    | 0.25338    |   0.0 |  0.10
Output  | 0.00022372 | 0.00022372 | 0.00022372 |   0.0 |  0.00
Modify  | 1.4743     | 1.4743     | 1.4743     |   0.0 |  0.56
Other   |            | 0.1769     |            |       |  0.07

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:      688398.0 ave      688398 max      688398 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688398
Ave neighs/atom = 86.049750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.795048472654, Press = 2.28735885027522
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -58371.649   -58371.649   -58676.311   -58676.311    294.65821    294.65821    45537.145    45537.145    1909.5541    1909.5541 
   50000    -58368.21    -58368.21    -58680.36    -58680.36    301.89937    301.89937    45510.806    45510.806    4517.4949    4517.4949 
Loop time of 276.104 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.313 ns/day, 76.695 hours/ns, 3.622 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 274.07     | 274.07     | 274.07     |   0.0 | 99.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26513    | 0.26513    | 0.26513    |   0.0 |  0.10
Output  | 0.00022243 | 0.00022243 | 0.00022243 |   0.0 |  0.00
Modify  | 1.5881     | 1.5881     | 1.5881     |   0.0 |  0.58
Other   |            | 0.1851     |            |       |  0.07

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:      688476.0 ave      688476 max      688476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688476
Ave neighs/atom = 86.059500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.814163301714, Press = 1.04454479675539
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000    -58368.21    -58368.21    -58680.36    -58680.36    301.89937    301.89937    45510.806    45510.806    4517.4949    4517.4949 
   51000   -58376.364   -58376.364   -58679.045   -58679.045    292.74175    292.74175     45536.93     45536.93    1874.0547    1874.0547 
Loop time of 255.008 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.339 ns/day, 70.836 hours/ns, 3.921 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 253.18     | 253.18     | 253.18     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25006    | 0.25006    | 0.25006    |   0.0 |  0.10
Output  | 0.00022387 | 0.00022387 | 0.00022387 |   0.0 |  0.00
Modify  | 1.4088     | 1.4088     | 1.4088     |   0.0 |  0.55
Other   |            | 0.172      |            |       |  0.07

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:      688472.0 ave      688472 max      688472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688472
Ave neighs/atom = 86.059000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.826409451904, Press = -0.317027763353553
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58376.364   -58376.364   -58679.045   -58679.045    292.74175    292.74175     45536.93     45536.93    1874.0547    1874.0547 
   52000   -58377.147   -58377.147   -58680.503   -58680.503    293.39434    293.39434    45564.393    45564.393   -752.89921   -752.89921 
Loop time of 242.216 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.282 hours/ns, 4.129 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.51     | 240.51     | 240.51     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23636    | 0.23636    | 0.23636    |   0.0 |  0.10
Output  | 0.00022581 | 0.00022581 | 0.00022581 |   0.0 |  0.00
Modify  | 1.3087     | 1.3087     | 1.3087     |   0.0 |  0.54
Other   |            | 0.1648     |            |       |  0.07

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:      688402.0 ave      688402 max      688402 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688402
Ave neighs/atom = 86.050250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.824899181422, Press = 0.244384909604882
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -58377.147   -58377.147   -58680.503   -58680.503    293.39434    293.39434    45564.393    45564.393   -752.89921   -752.89921 
   53000   -58369.471   -58369.471   -58668.148   -58668.148    288.86927    288.86927    45578.828    45578.828   -1881.6336   -1881.6336 
Loop time of 242.2 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.278 hours/ns, 4.129 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.49     | 240.49     | 240.49     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2371     | 0.2371     | 0.2371     |   0.0 |  0.10
Output  | 0.0002303  | 0.0002303  | 0.0002303  |   0.0 |  0.00
Modify  | 1.3089     | 1.3089     | 1.3089     |   0.0 |  0.54
Other   |            | 0.1638     |            |       |  0.07

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:      688404.0 ave      688404 max      688404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688404
Ave neighs/atom = 86.050500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.80463745886, Press = 0.889024409210219
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -58369.471   -58369.471   -58668.148   -58668.148    288.86927    288.86927    45578.828    45578.828   -1881.6336   -1881.6336 
   54000   -58372.973   -58372.973   -58670.804   -58670.804    288.05094    288.05094    45576.639    45576.639   -1576.5612   -1576.5612 
Loop time of 243.264 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.355 ns/day, 67.573 hours/ns, 4.111 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.54     | 241.54     | 241.54     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23839    | 0.23839    | 0.23839    |   0.0 |  0.10
Output  | 0.00022557 | 0.00022557 | 0.00022557 |   0.0 |  0.00
Modify  | 1.3191     | 1.3191     | 1.3191     |   0.0 |  0.54
Other   |            | 0.166      |            |       |  0.07

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:      688400.0 ave      688400 max      688400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688400
Ave neighs/atom = 86.050000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.791648041761, Press = 1.73021584277478
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58372.973   -58372.973   -58670.804   -58670.804    288.05094    288.05094    45576.639    45576.639   -1576.5612   -1576.5612 
   55000   -58367.452   -58367.452     -58674.8     -58674.8    297.25497    297.25497     45559.16     45559.16   -38.193842   -38.193842 
Loop time of 243.859 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.354 ns/day, 67.739 hours/ns, 4.101 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 242.13     | 242.13     | 242.13     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24012    | 0.24012    | 0.24012    |   0.0 |  0.10
Output  | 0.00028617 | 0.00028617 | 0.00028617 |   0.0 |  0.00
Modify  | 1.3229     | 1.3229     | 1.3229     |   0.0 |  0.54
Other   |            | 0.1663     |            |       |  0.07

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:      688414.0 ave      688414 max      688414 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688414
Ave neighs/atom = 86.051750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.790327563637, Press = 2.78275490590231
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -58367.452   -58367.452     -58674.8     -58674.8    297.25497    297.25497     45559.16     45559.16   -38.193842   -38.193842 
   56000   -58375.309   -58375.309   -58677.257   -58677.257    292.03215    292.03215    45521.104    45521.104    3517.3493    3517.3493 
Loop time of 243.522 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.355 ns/day, 67.645 hours/ns, 4.106 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.79     | 241.79     | 241.79     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24094    | 0.24094    | 0.24094    |   0.0 |  0.10
Output  | 0.00022512 | 0.00022512 | 0.00022512 |   0.0 |  0.00
Modify  | 1.3207     | 1.3207     | 1.3207     |   0.0 |  0.54
Other   |            | 0.1667     |            |       |  0.07

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:      688462.0 ave      688462 max      688462 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688462
Ave neighs/atom = 86.057750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.808452151902, Press = 2.65637117585216
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58375.309   -58375.309   -58677.257   -58677.257    292.03215    292.03215    45521.104    45521.104    3517.3493    3517.3493 
   57000   -58366.504   -58366.504   -58671.952   -58671.952     295.4174     295.4174    45532.999    45532.999    2637.3495    2637.3495 
Loop time of 243.706 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.355 ns/day, 67.696 hours/ns, 4.103 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.98     | 241.98     | 241.98     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24118    | 0.24118    | 0.24118    |   0.0 |  0.10
Output  | 0.00022414 | 0.00022414 | 0.00022414 |   0.0 |  0.00
Modify  | 1.3208     | 1.3208     | 1.3208     |   0.0 |  0.54
Other   |            | 0.1663     |            |       |  0.07

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:      688492.0 ave      688492 max      688492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688492
Ave neighs/atom = 86.061500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.825816002151, Press = 0.939441598004789
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -58366.504   -58366.504   -58671.952   -58671.952     295.4174     295.4174    45532.999    45532.999    2637.3495    2637.3495 
   58000   -58372.881   -58372.881   -58676.763   -58676.763    293.90341    293.90341    45552.727    45552.727    551.73432    551.73432 
Loop time of 244.408 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.354 ns/day, 67.891 hours/ns, 4.092 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 242.65     | 242.65     | 242.65     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24868    | 0.24868    | 0.24868    |   0.0 |  0.10
Output  | 0.0002246  | 0.0002246  | 0.0002246  |   0.0 |  0.00
Modify  | 1.3384     | 1.3384     | 1.3384     |   0.0 |  0.55
Other   |            | 0.1685     |            |       |  0.07

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:      688488.0 ave      688488 max      688488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688488
Ave neighs/atom = 86.061000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.860310913907, Press = 0.721104908770017
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -58372.881   -58372.881   -58676.763   -58676.763    293.90341    293.90341    45552.727    45552.727    551.73432    551.73432 
   59000   -58368.245   -58368.245   -58674.199   -58674.199    295.90695    295.90695    45564.609    45564.609   -303.41939   -303.41939 
Loop time of 242.071 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.242 hours/ns, 4.131 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.35     | 240.35     | 240.35     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23871    | 0.23871    | 0.23871    |   0.0 |  0.10
Output  | 0.00021452 | 0.00021452 | 0.00021452 |   0.0 |  0.00
Modify  | 1.3153     | 1.3153     | 1.3153     |   0.0 |  0.54
Other   |            | 0.1665     |            |       |  0.07

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:      688430.0 ave      688430 max      688430 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688430
Ave neighs/atom = 86.053750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.868854414098, Press = 0.550791982178653
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -58368.245   -58368.245   -58674.199   -58674.199    295.90695    295.90695    45564.609    45564.609   -303.41939   -303.41939 
   60000   -58376.256   -58376.256    -58678.58    -58678.58      292.396      292.396    45573.634    45573.634   -1544.4784   -1544.4784 
Loop time of 237.542 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.364 ns/day, 65.984 hours/ns, 4.210 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 235.85     | 235.85     | 235.85     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23594    | 0.23594    | 0.23594    |   0.0 |  0.10
Output  | 0.0002739  | 0.0002739  | 0.0002739  |   0.0 |  0.00
Modify  | 1.2935     | 1.2935     | 1.2935     |   0.0 |  0.54
Other   |            | 0.1635     |            |       |  0.07

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:      688434.0 ave      688434 max      688434 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688434
Ave neighs/atom = 86.054250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.894479514835, Press = 0.681367110846456
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -58376.256   -58376.256    -58678.58    -58678.58      292.396      292.396    45573.634    45573.634   -1544.4784   -1544.4784 
   61000   -58373.977   -58373.977   -58679.216   -58679.216    295.21511    295.21511    45595.627    45595.627   -3675.4677   -3675.4677 
Loop time of 236.609 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.365 ns/day, 65.725 hours/ns, 4.226 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.92     | 234.92     | 234.92     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23305    | 0.23305    | 0.23305    |   0.0 |  0.10
Output  | 0.00022622 | 0.00022622 | 0.00022622 |   0.0 |  0.00
Modify  | 1.2938     | 1.2938     | 1.2938     |   0.0 |  0.55
Other   |            | 0.1653     |            |       |  0.07

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:      688398.0 ave      688398 max      688398 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688398
Ave neighs/atom = 86.049750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.90161857161, Press = 1.40444550697047
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -58373.977   -58373.977   -58679.216   -58679.216    295.21511    295.21511    45595.627    45595.627   -3675.4677   -3675.4677 
   62000   -58374.256   -58374.256   -58672.736   -58672.736      288.679      288.679    45570.621    45570.621   -1141.4805   -1141.4805 
Loop time of 236.653 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.365 ns/day, 65.737 hours/ns, 4.226 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.96     | 234.96     | 234.96     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23394    | 0.23394    | 0.23394    |   0.0 |  0.10
Output  | 0.00030916 | 0.00030916 | 0.00030916 |   0.0 |  0.00
Modify  | 1.2911     | 1.2911     | 1.2911     |   0.0 |  0.55
Other   |            | 0.1642     |            |       |  0.07

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:      688392.0 ave      688392 max      688392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688392
Ave neighs/atom = 86.049000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.880449855388, Press = 2.56661919460996
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -58374.256   -58374.256   -58672.736   -58672.736      288.679      288.679    45570.621    45570.621   -1141.4805   -1141.4805 
   63000   -58375.762   -58375.762   -58675.695   -58675.695    290.08407    290.08407    45543.688    45543.688    1215.9395    1215.9395 
Loop time of 235.854 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.366 ns/day, 65.515 hours/ns, 4.240 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.17     | 234.17     | 234.17     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23323    | 0.23323    | 0.23323    |   0.0 |  0.10
Output  | 0.00020998 | 0.00020998 | 0.00020998 |   0.0 |  0.00
Modify  | 1.2852     | 1.2852     | 1.2852     |   0.0 |  0.54
Other   |            | 0.1639     |            |       |  0.07

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:      688430.0 ave      688430 max      688430 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688430
Ave neighs/atom = 86.053750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.885248357326, Press = 2.02149138042784
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -58375.762   -58375.762   -58675.695   -58675.695    290.08407    290.08407    45543.688    45543.688    1215.9395    1215.9395 
   64000   -58370.715   -58370.715   -58671.967   -58671.967    291.35927    291.35927     45536.07     45536.07    2231.3167    2231.3167 
Loop time of 240.338 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.359 ns/day, 66.761 hours/ns, 4.161 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 238.62     | 238.62     | 238.62     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23752    | 0.23752    | 0.23752    |   0.0 |  0.10
Output  | 0.00021673 | 0.00021673 | 0.00021673 |   0.0 |  0.00
Modify  | 1.3097     | 1.3097     | 1.3097     |   0.0 |  0.54
Other   |            | 0.1659     |            |       |  0.07

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:      688522.0 ave      688522 max      688522 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688522
Ave neighs/atom = 86.065250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.879482035863, Press = 1.32117744492938
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -58370.715   -58370.715   -58671.967   -58671.967    291.35927    291.35927     45536.07     45536.07    2231.3167    2231.3167 
   65000   -58377.967   -58377.967   -58676.461   -58676.461     288.6931     288.6931    45543.362    45543.362    1299.8055    1299.8055 
Loop time of 237.532 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.364 ns/day, 65.981 hours/ns, 4.210 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 235.84     | 235.84     | 235.84     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23603    | 0.23603    | 0.23603    |   0.0 |  0.10
Output  | 0.00021649 | 0.00021649 | 0.00021649 |   0.0 |  0.00
Modify  | 1.2948     | 1.2948     | 1.2948     |   0.0 |  0.55
Other   |            | 0.1648     |            |       |  0.07

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:      688514.0 ave      688514 max      688514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688514
Ave neighs/atom = 86.064250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.86641783325, Press = 0.710369363655048
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -58377.967   -58377.967   -58676.461   -58676.461     288.6931     288.6931    45543.362    45543.362    1299.8055    1299.8055 
   66000   -58372.308   -58372.308   -58674.206   -58674.206    291.98496    291.98496    45555.639    45555.639     83.10734     83.10734 
Loop time of 236.426 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.365 ns/day, 65.674 hours/ns, 4.230 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.74     | 234.74     | 234.74     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23412    | 0.23412    | 0.23412    |   0.0 |  0.10
Output  | 0.00022497 | 0.00022497 | 0.00022497 |   0.0 |  0.00
Modify  | 1.2921     | 1.2921     | 1.2921     |   0.0 |  0.55
Other   |            | 0.1645     |            |       |  0.07

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:      688436.0 ave      688436 max      688436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688436
Ave neighs/atom = 86.054500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.84846487816, Press = 0.676332907549882
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -58372.308   -58372.308   -58674.206   -58674.206    291.98496    291.98496    45555.639    45555.639     83.10734     83.10734 
   67000   -58378.182   -58378.182   -58677.145   -58677.145    289.14583    289.14583    45560.539    45560.539   -492.03045   -492.03045 
Loop time of 235.758 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.366 ns/day, 65.488 hours/ns, 4.242 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.07     | 234.07     | 234.07     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23291    | 0.23291    | 0.23291    |   0.0 |  0.10
Output  | 0.00028715 | 0.00028715 | 0.00028715 |   0.0 |  0.00
Modify  | 1.2856     | 1.2856     | 1.2856     |   0.0 |  0.55
Other   |            | 0.165      |            |       |  0.07

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:      688508.0 ave      688508 max      688508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688508
Ave neighs/atom = 86.063500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.846766102666, Press = 0.767747280993261
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -58378.182   -58378.182   -58677.145   -58677.145    289.14583    289.14583    45560.539    45560.539   -492.03045   -492.03045 
   68000   -58371.792   -58371.792   -58675.664   -58675.664    293.89355    293.89355    45563.527    45563.527   -617.47575   -617.47575 
Loop time of 237.532 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.364 ns/day, 65.981 hours/ns, 4.210 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 235.84     | 235.84     | 235.84     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23463    | 0.23463    | 0.23463    |   0.0 |  0.10
Output  | 0.00027284 | 0.00027284 | 0.00027284 |   0.0 |  0.00
Modify  | 1.2951     | 1.2951     | 1.2951     |   0.0 |  0.55
Other   |            | 0.1638     |            |       |  0.07

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:      688408.0 ave      688408 max      688408 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688408
Ave neighs/atom = 86.051000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.848813180711, Press = 0.956161876349109
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -58371.792   -58371.792   -58675.664   -58675.664    293.89355    293.89355    45563.527    45563.527   -617.47575   -617.47575 
   69000   -58370.756   -58370.756   -58672.898   -58672.898    292.22068    292.22068    45566.339    45566.339   -915.62991   -915.62991 
Loop time of 238.546 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.362 ns/day, 66.263 hours/ns, 4.192 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 236.84     | 236.84     | 236.84     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23373    | 0.23373    | 0.23373    |   0.0 |  0.10
Output  | 0.00028609 | 0.00028609 | 0.00028609 |   0.0 |  0.00
Modify  | 1.3016     | 1.3016     | 1.3016     |   0.0 |  0.55
Other   |            | 0.1655     |            |       |  0.07

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:      688498.0 ave      688498 max      688498 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688498
Ave neighs/atom = 86.062250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.849673955484, Press = 1.33212646049433
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -58370.756   -58370.756   -58672.898   -58672.898    292.22068    292.22068    45566.339    45566.339   -915.62991   -915.62991 
   70000   -58381.439   -58381.439   -58679.955   -58679.955    288.71317    288.71317    45542.689    45542.689    1049.0847    1049.0847 
Loop time of 236.386 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.366 ns/day, 65.663 hours/ns, 4.230 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.7      | 234.7      | 234.7      |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23452    | 0.23452    | 0.23452    |   0.0 |  0.10
Output  | 0.00021153 | 0.00021153 | 0.00021153 |   0.0 |  0.00
Modify  | 1.2922     | 1.2922     | 1.2922     |   0.0 |  0.55
Other   |            | 0.1628     |            |       |  0.07

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:      688472.0 ave      688472 max      688472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688472
Ave neighs/atom = 86.059000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.84078681878, Press = 1.77413075674685
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -58381.439   -58381.439   -58679.955   -58679.955    288.71317    288.71317    45542.689    45542.689    1049.0847    1049.0847 
   71000   -58370.488   -58370.488   -58675.247   -58675.247    294.75083    294.75083    45523.133    45523.133    3330.1796    3330.1796 
Loop time of 238.873 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.362 ns/day, 66.354 hours/ns, 4.186 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 237.17     | 237.17     | 237.17     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23682    | 0.23682    | 0.23682    |   0.0 |  0.10
Output  | 0.00027659 | 0.00027659 | 0.00027659 |   0.0 |  0.00
Modify  | 1.3027     | 1.3027     | 1.3027     |   0.0 |  0.55
Other   |            | 0.166      |            |       |  0.07

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:      688438.0 ave      688438 max      688438 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688438
Ave neighs/atom = 86.054750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.838676083989, Press = 1.28091359143795
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -58370.488   -58370.488   -58675.247   -58675.247    294.75083    294.75083    45523.133    45523.133    3330.1796    3330.1796 
   72000   -58378.032   -58378.032   -58675.726   -58675.726    287.91915    287.91915    45528.111    45528.111    2905.1943    2905.1943 
Loop time of 237.751 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.363 ns/day, 66.042 hours/ns, 4.206 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 236.05     | 236.05     | 236.05     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23475    | 0.23475    | 0.23475    |   0.0 |  0.10
Output  | 0.00027856 | 0.00027856 | 0.00027856 |   0.0 |  0.00
Modify  | 1.2998     | 1.2998     | 1.2998     |   0.0 |  0.55
Other   |            | 0.1647     |            |       |  0.07

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:      688500.0 ave      688500 max      688500 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688500
Ave neighs/atom = 86.062500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.824633892898, Press = 0.192524163193288
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -58378.032   -58378.032   -58675.726   -58675.726    287.91915    287.91915    45528.111    45528.111    2905.1943    2905.1943 
   73000   -58368.734   -58368.734    -58671.78    -58671.78    293.09425    293.09425    45560.733    45560.733   -21.832542   -21.832542 
Loop time of 236.359 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.366 ns/day, 65.655 hours/ns, 4.231 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.67     | 234.67     | 234.67     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23425    | 0.23425    | 0.23425    |   0.0 |  0.10
Output  | 0.00021451 | 0.00021451 | 0.00021451 |   0.0 |  0.00
Modify  | 1.2878     | 1.2878     | 1.2878     |   0.0 |  0.54
Other   |            | 0.1647     |            |       |  0.07

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:      688474.0 ave      688474 max      688474 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688474
Ave neighs/atom = 86.059250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.819719683121, Press = 0.0449705703307271
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -58368.734   -58368.734    -58671.78    -58671.78    293.09425    293.09425    45560.733    45560.733   -21.832542   -21.832542 
   74000   -58375.867   -58375.867   -58676.239   -58676.239    290.50908    290.50908     45566.02     45566.02   -901.70019   -901.70019 
Loop time of 237.884 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.363 ns/day, 66.079 hours/ns, 4.204 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 236.19     | 236.19     | 236.19     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23502    | 0.23502    | 0.23502    |   0.0 |  0.10
Output  | 0.00049608 | 0.00049608 | 0.00049608 |   0.0 |  0.00
Modify  | 1.2967     | 1.2967     | 1.2967     |   0.0 |  0.55
Other   |            | 0.1656     |            |       |  0.07

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:      688422.0 ave      688422 max      688422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688422
Ave neighs/atom = 86.052750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.823640585057, Press = 0.600545457098934
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -58375.867   -58375.867   -58676.239   -58676.239    290.50908    290.50908     45566.02     45566.02   -901.70019   -901.70019 
   75000   -58365.936   -58365.936   -58670.764   -58670.764    294.81849    294.81849    45566.899    45566.899   -591.76964   -591.76964 
Loop time of 235.903 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.366 ns/day, 65.529 hours/ns, 4.239 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.22     | 234.22     | 234.22     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23555    | 0.23555    | 0.23555    |   0.0 |  0.10
Output  | 0.00031258 | 0.00031258 | 0.00031258 |   0.0 |  0.00
Modify  | 1.2879     | 1.2879     | 1.2879     |   0.0 |  0.55
Other   |            | 0.1632     |            |       |  0.07

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:      688370.0 ave      688370 max      688370 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688370
Ave neighs/atom = 86.046250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.838148595957, Press = 0.861278357576239
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -58365.936   -58365.936   -58670.764   -58670.764    294.81849    294.81849    45566.899    45566.899   -591.76964   -591.76964 
   76000   -58372.836   -58372.836   -58679.063   -58679.063      296.172      296.172    45560.203    45560.203   -168.35065   -168.35065 
Loop time of 235.293 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.367 ns/day, 65.359 hours/ns, 4.250 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 233.61     | 233.61     | 233.61     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23491    | 0.23491    | 0.23491    |   0.0 |  0.10
Output  | 0.00021199 | 0.00021199 | 0.00021199 |   0.0 |  0.00
Modify  | 1.2842     | 1.2842     | 1.2842     |   0.0 |  0.55
Other   |            | 0.164      |            |       |  0.07

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:      688494.0 ave      688494 max      688494 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688494
Ave neighs/atom = 86.061750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.852572240772, Press = 1.00537301308415
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -58372.836   -58372.836   -58679.063   -58679.063      296.172      296.172    45560.203    45560.203   -168.35065   -168.35065 
   77000   -58363.473   -58363.473   -58672.774   -58672.774    299.14466    299.14466    45549.172    45549.172    1190.2698    1190.2698 
Loop time of 236.046 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.366 ns/day, 65.568 hours/ns, 4.236 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.36     | 234.36     | 234.36     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23218    | 0.23218    | 0.23218    |   0.0 |  0.10
Output  | 0.00021166 | 0.00021166 | 0.00021166 |   0.0 |  0.00
Modify  | 1.2893     | 1.2893     | 1.2893     |   0.0 |  0.55
Other   |            | 0.1653     |            |       |  0.07

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:      688404.0 ave      688404 max      688404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688404
Ave neighs/atom = 86.050500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.880737394631, Press = 1.27632033453295
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -58363.473   -58363.473   -58672.774   -58672.774    299.14466    299.14466    45549.172    45549.172    1190.2698    1190.2698 
   78000   -58373.007   -58373.007   -58673.479   -58673.479     290.6061     290.6061    45528.916    45528.916    2959.3237    2959.3237 
Loop time of 235.446 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.367 ns/day, 65.402 hours/ns, 4.247 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 233.77     | 233.77     | 233.77     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23296    | 0.23296    | 0.23296    |   0.0 |  0.10
Output  | 0.00021209 | 0.00021209 | 0.00021209 |   0.0 |  0.00
Modify  | 1.284      | 1.284      | 1.284      |   0.0 |  0.55
Other   |            | 0.1627     |            |       |  0.07

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:      688514.0 ave      688514 max      688514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688514
Ave neighs/atom = 86.064250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.891068664057, Press = 0.920386441573376
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -58373.007   -58373.007   -58673.479   -58673.479     290.6061     290.6061    45528.916    45528.916    2959.3237    2959.3237 
   79000   -58360.303   -58360.303   -58671.972   -58671.972    301.43431    301.43431     45534.43     45534.43    2757.7189    2757.7189 
Loop time of 238.291 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.363 ns/day, 66.192 hours/ns, 4.197 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    | 236.59     | 236.59     | 236.59     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23557    | 0.23557    | 0.23557    |   0.0 |  0.10
Output  | 0.00023698 | 0.00023698 | 0.00023698 |   0.0 |  0.00
Modify  | 1.2956     | 1.2956     | 1.2956     |   0.0 |  0.54
Other   |            | 0.166      |            |       |  0.07

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:      688512.0 ave      688512 max      688512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688512
Ave neighs/atom = 86.064000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.910942174929, Press = -0.0162133788364351
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -58360.303   -58360.303   -58671.972   -58671.972    301.43431    301.43431     45534.43     45534.43    2757.7189    2757.7189 
   80000   -58373.455   -58373.455    -58679.82    -58679.82     296.3044     296.3044    45560.231    45560.231   -256.40752   -256.40752 
Loop time of 237.529 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.364 ns/day, 65.980 hours/ns, 4.210 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 235.84     | 235.84     | 235.84     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23333    | 0.23333    | 0.23333    |   0.0 |  0.10
Output  | 0.00021314 | 0.00021314 | 0.00021314 |   0.0 |  0.00
Modify  | 1.2954     | 1.2954     | 1.2954     |   0.0 |  0.55
Other   |            | 0.164      |            |       |  0.07

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:      688556.0 ave      688556 max      688556 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688556
Ave neighs/atom = 86.069500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.925874362613, Press = -0.301278360673628
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -58373.455   -58373.455    -58679.82    -58679.82     296.3044     296.3044    45560.231    45560.231   -256.40752   -256.40752 
   81000    -58372.61    -58372.61    -58677.57    -58677.57    294.94639    294.94639    45574.385    45574.385   -1527.3311   -1527.3311 
Loop time of 237.229 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.364 ns/day, 65.897 hours/ns, 4.215 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 235.54     | 235.54     | 235.54     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23302    | 0.23302    | 0.23302    |   0.0 |  0.10
Output  | 0.00027453 | 0.00027453 | 0.00027453 |   0.0 |  0.00
Modify  | 1.2906     | 1.2906     | 1.2906     |   0.0 |  0.54
Other   |            | 0.1643     |            |       |  0.07

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:      688390.0 ave      688390 max      688390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688390
Ave neighs/atom = 86.048750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.938211493199, Press = 0.332269188457857
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000    -58372.61    -58372.61    -58677.57    -58677.57    294.94639    294.94639    45574.385    45574.385   -1527.3311   -1527.3311 
   82000   -58371.105   -58371.105   -58673.175   -58673.175    292.15063    292.15063    45569.488    45569.488   -948.20843   -948.20843 
Loop time of 237.855 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.363 ns/day, 66.071 hours/ns, 4.204 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 236.16     | 236.16     | 236.16     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23589    | 0.23589    | 0.23589    |   0.0 |  0.10
Output  | 0.00028991 | 0.00028991 | 0.00028991 |   0.0 |  0.00
Modify  | 1.2954     | 1.2954     | 1.2954     |   0.0 |  0.54
Other   |            | 0.1643     |            |       |  0.07

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:      688396.0 ave      688396 max      688396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688396
Ave neighs/atom = 86.049500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.930477355765, Press = 0.810628622062068
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -58371.105   -58371.105   -58673.175   -58673.175    292.15063    292.15063    45569.488    45569.488   -948.20843   -948.20843 
   83000   -58378.833   -58378.833   -58676.866   -58676.866    288.24678    288.24678    45560.719    45560.719   -428.97852   -428.97852 
Loop time of 240.571 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.359 ns/day, 66.825 hours/ns, 4.157 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 238.86     | 238.86     | 238.86     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23485    | 0.23485    | 0.23485    |   0.0 |  0.10
Output  | 0.00030403 | 0.00030403 | 0.00030403 |   0.0 |  0.00
Modify  | 1.3072     | 1.3072     | 1.3072     |   0.0 |  0.54
Other   |            | 0.167      |            |       |  0.07

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:      688464.0 ave      688464 max      688464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688464
Ave neighs/atom = 86.058000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.91714169286, Press = 1.04869524723695
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -58378.833   -58378.833   -58676.866   -58676.866    288.24678    288.24678    45560.719    45560.719   -428.97852   -428.97852 
   84000   -58373.288   -58373.288   -58674.256   -58674.256    291.08497    291.08497     45548.62     45548.62    757.37317    757.37317 
Loop time of 236.145 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.366 ns/day, 65.596 hours/ns, 4.235 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.46     | 234.46     | 234.46     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23213    | 0.23213    | 0.23213    |   0.0 |  0.10
Output  | 0.00022334 | 0.00022334 | 0.00022334 |   0.0 |  0.00
Modify  | 1.2892     | 1.2892     | 1.2892     |   0.0 |  0.55
Other   |            | 0.1633     |            |       |  0.07

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:      688482.0 ave      688482 max      688482 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688482
Ave neighs/atom = 86.060250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.914619384735, Press = 1.1754018998689
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -58373.288   -58373.288   -58674.256   -58674.256    291.08497    291.08497     45548.62     45548.62    757.37317    757.37317 
   85000   -58366.869   -58366.869   -58674.525   -58674.525      297.553      297.553    45527.209    45527.209    3178.1708    3178.1708 
Loop time of 237.022 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.365 ns/day, 65.839 hours/ns, 4.219 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 235.33     | 235.33     | 235.33     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23553    | 0.23553    | 0.23553    |   0.0 |  0.10
Output  | 0.00029842 | 0.00029842 | 0.00029842 |   0.0 |  0.00
Modify  | 1.2913     | 1.2913     | 1.2913     |   0.0 |  0.54
Other   |            | 0.1633     |            |       |  0.07

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:      688512.0 ave      688512 max      688512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688512
Ave neighs/atom = 86.064000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.907721338269, Press = 0.923826866900171
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -58366.869   -58366.869   -58674.525   -58674.525      297.553      297.553    45527.209    45527.209    3178.1708    3178.1708 
   86000   -58373.797   -58373.797    -58675.09    -58675.09    291.39918    291.39918    45531.745    45531.745    2539.6152    2539.6152 
Loop time of 236.621 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.365 ns/day, 65.728 hours/ns, 4.226 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.94     | 234.94     | 234.94     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23416    | 0.23416    | 0.23416    |   0.0 |  0.10
Output  | 0.00022334 | 0.00022334 | 0.00022334 |   0.0 |  0.00
Modify  | 1.2889     | 1.2889     | 1.2889     |   0.0 |  0.54
Other   |            | 0.1626     |            |       |  0.07

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:      688514.0 ave      688514 max      688514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688514
Ave neighs/atom = 86.064250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.917733757792, Press = 0.123485433972112
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -58373.797   -58373.797    -58675.09    -58675.09    291.39918    291.39918    45531.745    45531.745    2539.6152    2539.6152 
   87000   -58366.533   -58366.533   -58675.152   -58675.152    298.48499    298.48499    45563.201    45563.201   -402.45568   -402.45568 
Loop time of 235.667 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.367 ns/day, 65.463 hours/ns, 4.243 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 233.98     | 233.98     | 233.98     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23283    | 0.23283    | 0.23283    |   0.0 |  0.10
Output  | 0.00021339 | 0.00021339 | 0.00021339 |   0.0 |  0.00
Modify  | 1.2862     | 1.2862     | 1.2862     |   0.0 |  0.55
Other   |            | 0.164      |            |       |  0.07

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:      688480.0 ave      688480 max      688480 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688480
Ave neighs/atom = 86.060000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.936874741507, Press = -0.170402051098658
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -58366.533   -58366.533   -58675.152   -58675.152    298.48499    298.48499    45563.201    45563.201   -402.45568   -402.45568 
   88000   -58373.511   -58373.511   -58674.982   -58674.982    291.57159    291.57159    45576.049    45576.049    -1791.705    -1791.705 
Loop time of 239.809 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.360 ns/day, 66.613 hours/ns, 4.170 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 238.1      | 238.1      | 238.1      |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2357     | 0.2357     | 0.2357     |   0.0 |  0.10
Output  | 0.00021275 | 0.00021275 | 0.00021275 |   0.0 |  0.00
Modify  | 1.3061     | 1.3061     | 1.3061     |   0.0 |  0.54
Other   |            | 0.1657     |            |       |  0.07

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:      688518.0 ave      688518 max      688518 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688518
Ave neighs/atom = 86.064750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.947019010618, Press = 0.268908459951768
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -58373.511   -58373.511   -58674.982   -58674.982    291.57159    291.57159    45576.049    45576.049    -1791.705    -1791.705 
   89000   -58377.841   -58377.841   -58676.579   -58676.579    288.92804    288.92804    45576.015    45576.015   -2002.8703   -2002.8703 
Loop time of 236.419 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.365 ns/day, 65.672 hours/ns, 4.230 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.73     | 234.73     | 234.73     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23236    | 0.23236    | 0.23236    |   0.0 |  0.10
Output  | 0.0002106  | 0.0002106  | 0.0002106  |   0.0 |  0.00
Modify  | 1.2917     | 1.2917     | 1.2917     |   0.0 |  0.55
Other   |            | 0.1638     |            |       |  0.07

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:      688424.0 ave      688424 max      688424 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688424
Ave neighs/atom = 86.053000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.950848220441, Press = 0.700663465999887
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -58377.841   -58377.841   -58676.579   -58676.579    288.92804    288.92804    45576.015    45576.015   -2002.8703   -2002.8703 
   90000   -58370.197   -58370.197   -58672.389   -58672.389    292.26921    292.26921    45568.327    45568.327   -842.75254   -842.75254 
Loop time of 235.805 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.366 ns/day, 65.501 hours/ns, 4.241 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.12     | 234.12     | 234.12     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23397    | 0.23397    | 0.23397    |   0.0 |  0.10
Output  | 0.0002106  | 0.0002106  | 0.0002106  |   0.0 |  0.00
Modify  | 1.2826     | 1.2826     | 1.2826     |   0.0 |  0.54
Other   |            | 0.1644     |            |       |  0.07

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:      688452.0 ave      688452 max      688452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688452
Ave neighs/atom = 86.056500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.954946131888, Press = 1.13763109516756
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -58370.197   -58370.197   -58672.389   -58672.389    292.26921    292.26921    45568.327    45568.327   -842.75254   -842.75254 
   91000   -58373.419   -58373.419   -58674.454   -58674.454    291.15023    291.15023    45544.244    45544.244    1347.2564    1347.2564 
Loop time of 238.393 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.362 ns/day, 66.220 hours/ns, 4.195 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 236.69     | 236.69     | 236.69     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23593    | 0.23593    | 0.23593    |   0.0 |  0.10
Output  | 0.00028675 | 0.00028675 | 0.00028675 |   0.0 |  0.00
Modify  | 1.2989     | 1.2989     | 1.2989     |   0.0 |  0.54
Other   |            | 0.1653     |            |       |  0.07

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:      688498.0 ave      688498 max      688498 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688498
Ave neighs/atom = 86.062250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.954716911361, Press = 1.42693902936524
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -58373.419   -58373.419   -58674.454   -58674.454    291.15023    291.15023    45544.244    45544.244    1347.2564    1347.2564 
   92000   -58372.507   -58372.507   -58674.634   -58674.634    292.20623    292.20623    45506.011    45506.011     4897.123     4897.123 
Loop time of 238.917 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.362 ns/day, 66.366 hours/ns, 4.186 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 237.21     | 237.21     | 237.21     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23598    | 0.23598    | 0.23598    |   0.0 |  0.10
Output  | 0.00021255 | 0.00021255 | 0.00021255 |   0.0 |  0.00
Modify  | 1.3024     | 1.3024     | 1.3024     |   0.0 |  0.55
Other   |            | 0.1649     |            |       |  0.07

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:      688454.0 ave      688454 max      688454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688454
Ave neighs/atom = 86.056750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.972534935601, Press = 1.16779436198298
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -58372.507   -58372.507   -58674.634   -58674.634    292.20623    292.20623    45506.011    45506.011     4897.123     4897.123 
   93000   -58370.815   -58370.815   -58673.784   -58673.784    293.02037    293.02037    45533.686    45533.686     2322.089     2322.089 
Loop time of 235.519 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.367 ns/day, 65.422 hours/ns, 4.246 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 233.84     | 233.84     | 233.84     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22975    | 0.22975    | 0.22975    |   0.0 |  0.10
Output  | 0.00021167 | 0.00021167 | 0.00021167 |   0.0 |  0.00
Modify  | 1.2816     | 1.2816     | 1.2816     |   0.0 |  0.54
Other   |            | 0.1627     |            |       |  0.07

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:      688514.0 ave      688514 max      688514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688514
Ave neighs/atom = 86.064250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.974388557449, Press = 0.256808860337529
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 = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -58370.815   -58370.815   -58673.784   -58673.784    293.02037    293.02037    45533.686    45533.686     2322.089     2322.089 
   94000   -58378.866   -58378.866   -58680.123   -58680.123    291.36413    291.36413     45550.38     45550.38    528.09928    528.09928 
Loop time of 236.662 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.365 ns/day, 65.739 hours/ns, 4.225 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    | 234.97     | 234.97     | 234.97     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23241    | 0.23241    | 0.23241    |   0.0 |  0.10
Output  | 0.00027671 | 0.00027671 | 0.00027671 |   0.0 |  0.00
Modify  | 1.2914     | 1.2914     | 1.2914     |   0.0 |  0.55
Other   |            | 0.1633     |            |       |  0.07

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:      688506.0 ave      688506 max      688506 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688506
Ave neighs/atom = 86.063250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T293.15.out"  else  "print 'not_converged'  file output/vol_T293.15.out"
print '${V}'  file output/vol_T293.15.out
45557.732559452

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0