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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.56571938097477*${_u_distance}
variable latticeconst_converted equal 3.56571938097477*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.56571938097477
Lattice spacing in x,y,z = 3.5657194 3.5657194 3.5657194
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.657194 35.657194 35.657194)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.657194 35.657194 35.657194)
  create_atoms CPU = 0.002 seconds

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

kim_interactions C

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

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


mass          1 ${mass_converted}
mass          1 12.0107

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

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 45335.8209841381 Angstroms^3

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

variable temp_converted equal 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_408791041969_004#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.57 | 11.57 | 11.57 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58682.456   -58682.456   -58985.559   -58985.559       293.15       293.15    45335.821    45335.821    7141.0351    7141.0351 
    1000   -58351.027   -58351.027   -58663.098   -58663.098    301.82304    301.82304    45540.585    45540.585    2534.6763    2534.6763 
Loop time of 103.124 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.838 ns/day, 28.646 hours/ns, 9.697 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 102.32     | 102.32     | 102.32     |   0.0 | 99.22
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.080223   | 0.080223   | 0.080223   |   0.0 |  0.08
Output  | 0.0003261  | 0.0003261  | 0.0003261  |   0.0 |  0.00
Modify  | 0.63292    | 0.63292    | 0.63292    |   0.0 |  0.61
Other   |            | 0.08962    |            |       |  0.09

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

Total # of neighbors = 784000
Ave neighs/atom = 98.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -58351.027   -58351.027   -58663.098   -58663.098    301.82304    301.82304    45540.585    45540.585    2534.6763    2534.6763 
    2000   -58382.067   -58382.067   -58669.764   -58669.764    278.25028    278.25028    45557.364    45557.364   -70.464256   -70.464256 
Loop time of 95.999 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.900 ns/day, 26.666 hours/ns, 10.417 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.225     | 95.225     | 95.225     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.077481   | 0.077481   | 0.077481   |   0.0 |  0.08
Output  | 0.00017075 | 0.00017075 | 0.00017075 |   0.0 |  0.00
Modify  | 0.61018    | 0.61018    | 0.61018    |   0.0 |  0.64
Other   |            | 0.08575    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735554.0 ave      735554 max      735554 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735554
Ave neighs/atom = 91.944250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -58382.067   -58382.067   -58669.764   -58669.764    278.25028    278.25028    45557.364    45557.364   -70.464256   -70.464256 
    3000   -58369.354   -58369.354   -58679.071   -58679.071     299.5459     299.5459     45575.11     45575.11    -1608.798    -1608.798 
Loop time of 92.491 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.934 ns/day, 25.692 hours/ns, 10.812 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 91.737     | 91.737     | 91.737     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.077181   | 0.077181   | 0.077181   |   0.0 |  0.08
Output  | 0.00017304 | 0.00017304 | 0.00017304 |   0.0 |  0.00
Modify  | 0.59119    | 0.59119    | 0.59119    |   0.0 |  0.64
Other   |            | 0.08516    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734742.0 ave      734742 max      734742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734742
Ave neighs/atom = 91.842750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58369.354   -58369.354   -58679.071   -58679.071     299.5459     299.5459     45575.11     45575.11    -1608.798    -1608.798 
    4000   -58371.903   -58371.903   -58676.565   -58676.565    294.65783    294.65783    45575.521    45575.521   -1830.0209   -1830.0209 
Loop time of 89.3209 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.967 ns/day, 24.811 hours/ns, 11.196 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 88.601     | 88.601     | 88.601     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.073786   | 0.073786   | 0.073786   |   0.0 |  0.08
Output  | 0.00017047 | 0.00017047 | 0.00017047 |   0.0 |  0.00
Modify  | 0.56688    | 0.56688    | 0.56688    |   0.0 |  0.63
Other   |            | 0.07919    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733910.0 ave      733910 max      733910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733910
Ave neighs/atom = 91.738750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -58371.903   -58371.903   -58676.565   -58676.565    294.65783    294.65783    45575.521    45575.521   -1830.0209   -1830.0209 
    5000   -58376.786   -58376.786   -58670.731   -58670.731    284.29245    284.29245    45564.736    45564.736   -801.65643   -801.65643 
Loop time of 89.2871 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.968 ns/day, 24.802 hours/ns, 11.200 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 88.567     | 88.567     | 88.567     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.072945   | 0.072945   | 0.072945   |   0.0 |  0.08
Output  | 9.6652e-05 | 9.6652e-05 | 9.6652e-05 |   0.0 |  0.00
Modify  | 0.56833    | 0.56833    | 0.56833    |   0.0 |  0.64
Other   |            | 0.07849    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733924.0 ave      733924 max      733924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733924
Ave neighs/atom = 91.740500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.017514684996, Press = 952.72674552709
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58376.786   -58376.786   -58670.731   -58670.731    284.29245    284.29245    45564.736    45564.736   -801.65643   -801.65643 
    6000   -58367.109   -58367.109   -58671.744   -58671.744    294.63209    294.63209    45534.314    45534.314     2513.597     2513.597 
Loop time of 89.3174 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.967 ns/day, 24.810 hours/ns, 11.196 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 88.583     | 88.583     | 88.583     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.073399   | 0.073399   | 0.073399   |   0.0 |  0.08
Output  | 0.00012761 | 0.00012761 | 0.00012761 |   0.0 |  0.00
Modify  | 0.58248    | 0.58248    | 0.58248    |   0.0 |  0.65
Other   |            | 0.0785     |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734334.0 ave      734334 max      734334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734334
Ave neighs/atom = 91.791750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.774095655422, Press = 130.587599804983
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -58367.109   -58367.109   -58671.744   -58671.744    294.63209    294.63209    45534.314    45534.314     2513.597     2513.597 
    7000   -58378.157   -58378.157   -58678.384   -58678.384    290.36833    290.36833    45513.267    45513.267    4191.0484    4191.0484 
Loop time of 99.8816 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.865 ns/day, 27.745 hours/ns, 10.012 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 99.075     | 99.075     | 99.075     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.078147   | 0.078147   | 0.078147   |   0.0 |  0.08
Output  | 0.00024228 | 0.00024228 | 0.00024228 |   0.0 |  0.00
Modify  | 0.64615    | 0.64615    | 0.64615    |   0.0 |  0.65
Other   |            | 0.08203    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735876.0 ave      735876 max      735876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735876
Ave neighs/atom = 91.984500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.962367458803, Press = 30.331642546814
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -58378.157   -58378.157   -58678.384   -58678.384    290.36833    290.36833    45513.267    45513.267    4191.0484    4191.0484 
    8000   -58368.773   -58368.773   -58673.771   -58673.771    294.98297    294.98297    45547.006    45547.006    1202.9128    1202.9128 
Loop time of 97.8733 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.883 ns/day, 27.187 hours/ns, 10.217 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 97.072     | 97.072     | 97.072     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.078324   | 0.078324   | 0.078324   |   0.0 |  0.08
Output  | 0.00013456 | 0.00013456 | 0.00013456 |   0.0 |  0.00
Modify  | 0.63773    | 0.63773    | 0.63773    |   0.0 |  0.65
Other   |            | 0.08531    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      736516.0 ave      736516 max      736516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 736516
Ave neighs/atom = 92.064500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.088015020995, Press = 6.86134942538231
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -58368.773   -58368.773   -58673.771   -58673.771    294.98297    294.98297    45547.006    45547.006    1202.9128    1202.9128 
    9000   -58374.391   -58374.391   -58675.538   -58675.538    291.25818    291.25818    45561.745    45561.745    -426.4827    -426.4827 
Loop time of 92.0057 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.939 ns/day, 25.557 hours/ns, 10.869 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 91.259     | 91.259     | 91.259     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075095   | 0.075095   | 0.075095   |   0.0 |  0.08
Output  | 0.00012633 | 0.00012633 | 0.00012633 |   0.0 |  0.00
Modify  | 0.59714    | 0.59714    | 0.59714    |   0.0 |  0.65
Other   |            | 0.07417    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735154.0 ave      735154 max      735154 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735154
Ave neighs/atom = 91.894250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.014198002773, Press = 3.58193422353329
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -58374.391   -58374.391   -58675.538   -58675.538    291.25818    291.25818    45561.745    45561.745    -426.4827    -426.4827 
   10000   -58375.716   -58375.716   -58671.003   -58671.003    285.59067    285.59067    45574.343    45574.343   -1771.8624   -1771.8624 
Loop time of 91.0311 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.949 ns/day, 25.286 hours/ns, 10.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 90.295     | 90.295     | 90.295     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.073857   | 0.073857   | 0.073857   |   0.0 |  0.08
Output  | 0.00014879 | 0.00014879 | 0.00014879 |   0.0 |  0.00
Modify  | 0.58948    | 0.58948    | 0.58948    |   0.0 |  0.65
Other   |            | 0.07286    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734582.0 ave      734582 max      734582 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734582
Ave neighs/atom = 91.822750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.108868217482, Press = 4.22652076132948
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -58375.716   -58375.716   -58671.003   -58671.003    285.59067    285.59067    45574.343    45574.343   -1771.8624   -1771.8624 
   11000   -58368.861   -58368.861   -58678.915   -58678.915    299.87289    299.87289    45587.669    45587.669   -2909.8744   -2909.8744 
Loop time of 97.9957 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.882 ns/day, 27.221 hours/ns, 10.205 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 97.198     | 97.198     | 97.198     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07689    | 0.07689    | 0.07689    |   0.0 |  0.08
Output  | 0.0001345  | 0.0001345  | 0.0001345  |   0.0 |  0.00
Modify  | 0.63825    | 0.63825    | 0.63825    |   0.0 |  0.65
Other   |            | 0.08281    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733898.0 ave      733898 max      733898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733898
Ave neighs/atom = 91.737250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.998684761231, Press = 12.1735048164352
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58368.861   -58368.861   -58678.915   -58678.915    299.87289    299.87289    45587.669    45587.669   -2909.8744   -2909.8744 
   12000   -58377.432   -58377.432   -58677.537   -58677.537    290.25029    290.25029    45562.304    45562.304   -661.41408   -661.41408 
Loop time of 103.843 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.832 ns/day, 28.845 hours/ns, 9.630 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 103        | 103        | 103        |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.080126   | 0.080126   | 0.080126   |   0.0 |  0.08
Output  | 0.00014878 | 0.00014878 | 0.00014878 |   0.0 |  0.00
Modify  | 0.67442    | 0.67442    | 0.67442    |   0.0 |  0.65
Other   |            | 0.0868     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733618.0 ave      733618 max      733618 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733618
Ave neighs/atom = 91.702250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.961685807809, Press = 20.4618033135566
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -58377.432   -58377.432   -58677.537   -58677.537    290.25029    290.25029    45562.304    45562.304   -661.41408   -661.41408 
   13000   -58370.161   -58370.161   -58677.138   -58677.138    296.89718    296.89718    45536.862    45536.862    2159.3257    2159.3257 
Loop time of 101.237 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.853 ns/day, 28.121 hours/ns, 9.878 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 100.41     | 100.41     | 100.41     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079379   | 0.079379   | 0.079379   |   0.0 |  0.08
Output  | 0.0001479  | 0.0001479  | 0.0001479  |   0.0 |  0.00
Modify  | 0.65867    | 0.65867    | 0.65867    |   0.0 |  0.65
Other   |            | 0.08704    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734580.0 ave      734580 max      734580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734580
Ave neighs/atom = 91.822500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.849785586104, Press = 13.8867125589289
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -58370.161   -58370.161   -58677.138   -58677.138    296.89718    296.89718    45536.862    45536.862    2159.3257    2159.3257 
   14000   -58382.127   -58382.127   -58683.649   -58683.649    291.62039    291.62039    45524.272    45524.272    2943.3537    2943.3537 
Loop time of 101.365 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.852 ns/day, 28.157 hours/ns, 9.865 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 100.54     | 100.54     | 100.54     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079624   | 0.079624   | 0.079624   |   0.0 |  0.08
Output  | 0.00013314 | 0.00013314 | 0.00013314 |   0.0 |  0.00
Modify  | 0.65907    | 0.65907    | 0.65907    |   0.0 |  0.65
Other   |            | 0.08752    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735378.0 ave      735378 max      735378 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735378
Ave neighs/atom = 91.922250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.830840443575, Press = 5.32410533789309
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58382.127   -58382.127   -58683.649   -58683.649    291.62039    291.62039    45524.272    45524.272    2943.3537    2943.3537 
   15000   -58370.219   -58370.219   -58670.297   -58670.297    290.22436    290.22436    45543.676    45543.676    1545.1069    1545.1069 
Loop time of 101.333 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.853 ns/day, 28.148 hours/ns, 9.868 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 100.51     | 100.51     | 100.51     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079266   | 0.079266   | 0.079266   |   0.0 |  0.08
Output  | 0.00014635 | 0.00014635 | 0.00014635 |   0.0 |  0.00
Modify  | 0.6583     | 0.6583     | 0.6583     |   0.0 |  0.65
Other   |            | 0.08718    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      736086.0 ave      736086 max      736086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 736086
Ave neighs/atom = 92.010750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.762488348225, Press = 0.28327548329284
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -58370.219   -58370.219   -58670.297   -58670.297    290.22436    290.22436    45543.676    45543.676    1545.1069    1545.1069 
   16000   -58374.076   -58374.076    -58677.29    -58677.29    293.25756    293.25756    45564.081    45564.081   -570.88336   -570.88336 
Loop time of 103.089 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.838 ns/day, 28.636 hours/ns, 9.700 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 102.25     | 102.25     | 102.25     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.080172   | 0.080172   | 0.080172   |   0.0 |  0.08
Output  | 0.00010313 | 0.00010313 | 0.00010313 |   0.0 |  0.00
Modify  | 0.66746    | 0.66746    | 0.66746    |   0.0 |  0.65
Other   |            | 0.08683    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735148.0 ave      735148 max      735148 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735148
Ave neighs/atom = 91.893500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.749887552853, Press = -1.18149880031358
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58374.076   -58374.076    -58677.29    -58677.29    293.25756    293.25756    45564.081    45564.081   -570.88336   -570.88336 
   17000   -58368.582   -58368.582   -58670.591   -58670.591    292.09161    292.09161    45587.818    45587.818   -2639.6584   -2639.6584 
Loop time of 104.669 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.825 ns/day, 29.075 hours/ns, 9.554 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 103.83     | 103.83     | 103.83     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.080204   | 0.080204   | 0.080204   |   0.0 |  0.08
Output  | 0.000137   | 0.000137   | 0.000137   |   0.0 |  0.00
Modify  | 0.67592    | 0.67592    | 0.67592    |   0.0 |  0.65
Other   |            | 0.08679    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734654.0 ave      734654 max      734654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734654
Ave neighs/atom = 91.831750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.799664081185, Press = 0.593477512242345
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -58368.582   -58368.582   -58670.591   -58670.591    292.09161    292.09161    45587.818    45587.818   -2639.6584   -2639.6584 
   18000   -58374.926   -58374.926   -58674.721   -58674.721    289.95034    289.95034    45593.393    45593.393   -3546.8548   -3546.8548 
Loop time of 104.546 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.826 ns/day, 29.041 hours/ns, 9.565 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 103.7      | 103.7      | 103.7      |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079545   | 0.079545   | 0.079545   |   0.0 |  0.08
Output  | 0.00013571 | 0.00013571 | 0.00013571 |   0.0 |  0.00
Modify  | 0.67778    | 0.67778    | 0.67778    |   0.0 |  0.65
Other   |            | 0.08675    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733732.0 ave      733732 max      733732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733732
Ave neighs/atom = 91.716500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.879685699365, Press = 5.77029319075078
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -58374.926   -58374.926   -58674.721   -58674.721    289.95034    289.95034    45593.393    45593.393   -3546.8548   -3546.8548 
   19000   -58369.939   -58369.939   -58673.114   -58673.114    293.21904    293.21904    45570.387    45570.387    -1169.156    -1169.156 
Loop time of 104.511 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.827 ns/day, 29.031 hours/ns, 9.568 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 103.67     | 103.67     | 103.67     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07987    | 0.07987    | 0.07987    |   0.0 |  0.08
Output  | 0.00014577 | 0.00014577 | 0.00014577 |   0.0 |  0.00
Modify  | 0.67692    | 0.67692    | 0.67692    |   0.0 |  0.65
Other   |            | 0.08679    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733460.0 ave      733460 max      733460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733460
Ave neighs/atom = 91.682500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.969439088531, Press = 9.28381769022176
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58369.939   -58369.939   -58673.114   -58673.114    293.21904    293.21904    45570.387    45570.387    -1169.156    -1169.156 
   20000   -58378.356   -58378.356   -58676.113   -58676.113    287.97983    287.97983    45543.054    45543.054    1310.5004    1310.5004 
Loop time of 103.049 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.838 ns/day, 28.625 hours/ns, 9.704 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 102.21     | 102.21     | 102.21     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079879   | 0.079879   | 0.079879   |   0.0 |  0.08
Output  | 0.00012414 | 0.00012414 | 0.00012414 |   0.0 |  0.00
Modify  | 0.66717    | 0.66717    | 0.66717    |   0.0 |  0.65
Other   |            | 0.08702    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734318.0 ave      734318 max      734318 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734318
Ave neighs/atom = 91.789750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.953648713156, Press = 5.86625720042248
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58378.356   -58378.356   -58676.113   -58676.113    287.97983    287.97983    45543.054    45543.054    1310.5004    1310.5004 
   21000   -58372.251   -58372.251   -58676.207   -58676.207    293.97471    293.97471    45545.144    45545.144    1392.8212    1392.8212 
Loop time of 101.325 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.853 ns/day, 28.146 hours/ns, 9.869 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 100.5      | 100.5      | 100.5      |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079829   | 0.079829   | 0.079829   |   0.0 |  0.08
Output  | 0.00014771 | 0.00014771 | 0.00014771 |   0.0 |  0.00
Modify  | 0.65835    | 0.65835    | 0.65835    |   0.0 |  0.65
Other   |            | 0.08731    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735280.0 ave      735280 max      735280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735280
Ave neighs/atom = 91.910000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.94675588661, Press = 3.42076637505633
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -58372.251   -58372.251   -58676.207   -58676.207    293.97471    293.97471    45545.144    45545.144    1392.8212    1392.8212 
   22000   -58376.274   -58376.274   -58674.785   -58674.785    288.70863    288.70863    45547.511    45547.511    898.68286    898.68286 
Loop time of 101.284 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.853 ns/day, 28.134 hours/ns, 9.873 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 100.46     | 100.46     | 100.46     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07965    | 0.07965    | 0.07965    |   0.0 |  0.08
Output  | 0.00013834 | 0.00013834 | 0.00013834 |   0.0 |  0.00
Modify  | 0.65797    | 0.65797    | 0.65797    |   0.0 |  0.65
Other   |            | 0.08732    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735266.0 ave      735266 max      735266 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735266
Ave neighs/atom = 91.908250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.859941360365, Press = 2.03616166373495
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -58376.274   -58376.274   -58674.785   -58674.785    288.70863    288.70863    45547.511    45547.511    898.68286    898.68286 
   23000   -58373.428   -58373.428   -58678.796   -58678.796    295.34086    295.34086    45557.646    45557.646    123.00689    123.00689 
Loop time of 104.069 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.830 ns/day, 28.908 hours/ns, 9.609 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 103.18     | 103.18     | 103.18     |   0.0 | 99.15
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.085479   | 0.085479   | 0.085479   |   0.0 |  0.08
Output  | 0.0001266  | 0.0001266  | 0.0001266  |   0.0 |  0.00
Modify  | 0.69793    | 0.69793    | 0.69793    |   0.0 |  0.67
Other   |            | 0.1062     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734956.0 ave      734956 max      734956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734956
Ave neighs/atom = 91.869500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.865547056356, Press = -0.974414375100886
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58373.428   -58373.428   -58678.796   -58678.796    295.34086    295.34086    45557.646    45557.646    123.00689    123.00689 
   24000   -58371.353   -58371.353   -58674.576   -58674.576    293.26671    293.26671    45595.646    45595.646   -3603.1286   -3603.1286 
Loop time of 98.0639 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.881 ns/day, 27.240 hours/ns, 10.197 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 97.249     | 97.249     | 97.249     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.080553   | 0.080553   | 0.080553   |   0.0 |  0.08
Output  | 0.00014812 | 0.00014812 | 0.00014812 |   0.0 |  0.00
Modify  | 0.64677    | 0.64677    | 0.64677    |   0.0 |  0.66
Other   |            | 0.08746    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734758.0 ave      734758 max      734758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734758
Ave neighs/atom = 91.844750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.800422805384, Press = -1.70429586095109
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58371.353   -58371.353   -58674.576   -58674.576    293.26671    293.26671    45595.646    45595.646   -3603.1286   -3603.1286 
   25000   -58377.753   -58377.753   -58679.773   -58679.773    292.10264    292.10264    45588.277    45588.277   -2987.4795   -2987.4795 
Loop time of 97.3958 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.887 ns/day, 27.054 hours/ns, 10.267 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 96.583     | 96.583     | 96.583     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.080284   | 0.080284   | 0.080284   |   0.0 |  0.08
Output  | 0.00016152 | 0.00016152 | 0.00016152 |   0.0 |  0.00
Modify  | 0.64575    | 0.64575    | 0.64575    |   0.0 |  0.66
Other   |            | 0.0867     |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733302.0 ave      733302 max      733302 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733302
Ave neighs/atom = 91.662750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.801173106391, Press = 2.56048803156294
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -58377.753   -58377.753   -58679.773   -58679.773    292.10264    292.10264    45588.277    45588.277   -2987.4795   -2987.4795 
   26000   -58367.435   -58367.435   -58676.203   -58676.203      298.629      298.629    45573.569    45573.569   -1417.8663   -1417.8663 
Loop time of 99.1448 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.871 ns/day, 27.540 hours/ns, 10.086 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 98.319     | 98.319     | 98.319     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.081374   | 0.081374   | 0.081374   |   0.0 |  0.08
Output  | 0.00016044 | 0.00016044 | 0.00016044 |   0.0 |  0.00
Modify  | 0.65613    | 0.65613    | 0.65613    |   0.0 |  0.66
Other   |            | 0.08797    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733672.0 ave      733672 max      733672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733672
Ave neighs/atom = 91.709000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.804624097424, Press = 3.8456871100267
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58367.435   -58367.435   -58676.203   -58676.203      298.629      298.629    45573.569    45573.569   -1417.8663   -1417.8663 
   27000   -58371.906   -58371.906     -58678.4     -58678.4    296.42934    296.42934    45556.595    45556.595     74.75822     74.75822 
Loop time of 98.6053 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.876 ns/day, 27.390 hours/ns, 10.141 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    | 97.791     | 97.791     | 97.791     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079316   | 0.079316   | 0.079316   |   0.0 |  0.08
Output  | 0.00012961 | 0.00012961 | 0.00012961 |   0.0 |  0.00
Modify  | 0.64743    | 0.64743    | 0.64743    |   0.0 |  0.66
Other   |            | 0.08703    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734274.0 ave      734274 max      734274 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734274
Ave neighs/atom = 91.784250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.801546580099, Press = 4.0477629002352
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -58371.906   -58371.906     -58678.4     -58678.4    296.42934    296.42934    45556.595    45556.595     74.75822     74.75822 
   28000   -58376.314   -58376.314   -58676.224   -58676.224    290.06192    290.06192    45539.058    45539.058    1647.6964    1647.6964 
Loop time of 92.5327 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.934 ns/day, 25.704 hours/ns, 10.807 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 91.763     | 91.763     | 91.763     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.077051   | 0.077051   | 0.077051   |   0.0 |  0.08
Output  | 0.00013387 | 0.00013387 | 0.00013387 |   0.0 |  0.00
Modify  | 0.60912    | 0.60912    | 0.60912    |   0.0 |  0.66
Other   |            | 0.08319    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734630.0 ave      734630 max      734630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734630
Ave neighs/atom = 91.828750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.792534955285, Press = 3.78734038432057
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58376.314   -58376.314   -58676.224   -58676.224    290.06192    290.06192    45539.058    45539.058    1647.6964    1647.6964 
   29000   -58370.983   -58370.983   -58677.579   -58677.579    296.52834    296.52834     45505.98     45505.98    4853.6788    4853.6788 
Loop time of 101.422 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.852 ns/day, 28.173 hours/ns, 9.860 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 100.59     | 100.59     | 100.59     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.080934   | 0.080934   | 0.080934   |   0.0 |  0.08
Output  | 0.00014638 | 0.00014638 | 0.00014638 |   0.0 |  0.00
Modify  | 0.66218    | 0.66218    | 0.66218    |   0.0 |  0.65
Other   |            | 0.08829    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735778.0 ave      735778 max      735778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735778
Ave neighs/atom = 91.972250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.773679714361, Press = 1.92302476463721
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -58370.983   -58370.983   -58677.579   -58677.579    296.52834    296.52834     45505.98     45505.98    4853.6788    4853.6788 
   30000   -58378.015   -58378.015   -58680.977   -58680.977    293.01332    293.01332    45533.273    45533.273     2162.226     2162.226 
Loop time of 100.326 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.861 ns/day, 27.868 hours/ns, 9.967 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    | 99.498     | 99.498     | 99.498     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.081446   | 0.081446   | 0.081446   |   0.0 |  0.08
Output  | 0.00013613 | 0.00013613 | 0.00013613 |   0.0 |  0.00
Modify  | 0.65932    | 0.65932    | 0.65932    |   0.0 |  0.66
Other   |            | 0.08768    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      736946.0 ave      736946 max      736946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 736946
Ave neighs/atom = 92.118250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.775863693107, Press = -1.15753186109277
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -58378.015   -58378.015   -58680.977   -58680.977    293.01332    293.01332    45533.273    45533.273     2162.226     2162.226 
   31000   -58373.233   -58373.233    -58673.47    -58673.47    290.37812    290.37812    45565.832    45565.832   -846.95621   -846.95621 
Loop time of 95.6488 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.903 ns/day, 26.569 hours/ns, 10.455 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 94.857     | 94.857     | 94.857     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.078648   | 0.078648   | 0.078648   |   0.0 |  0.08
Output  | 0.00013853 | 0.00013853 | 0.00013853 |   0.0 |  0.00
Modify  | 0.62857    | 0.62857    | 0.62857    |   0.0 |  0.66
Other   |            | 0.08428    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735622.0 ave      735622 max      735622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735622
Ave neighs/atom = 91.952750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.727752903648, Press = 0.0327844901390477
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -58373.233   -58373.233    -58673.47    -58673.47    290.37812    290.37812    45565.832    45565.832   -846.95621   -846.95621 
   32000       -58377       -58377   -58676.745   -58676.745    289.90276    289.90276    45577.006    45577.006   -1943.3416   -1943.3416 
Loop time of 100.095 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.863 ns/day, 27.804 hours/ns, 9.991 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 99.275     | 99.275     | 99.275     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079733   | 0.079733   | 0.079733   |   0.0 |  0.08
Output  | 0.00013519 | 0.00013519 | 0.00013519 |   0.0 |  0.00
Modify  | 0.65459    | 0.65459    | 0.65459    |   0.0 |  0.65
Other   |            | 0.08562    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734396.0 ave      734396 max      734396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734396
Ave neighs/atom = 91.799500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.732272424847, Press = 1.15699080425239
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000       -58377       -58377   -58676.745   -58676.745    289.90276    289.90276    45577.006    45577.006   -1943.3416   -1943.3416 
   33000   -58369.603   -58369.603   -58673.399   -58673.399    293.82062    293.82062    45577.677    45577.677   -1854.4011   -1854.4011 
Loop time of 96.249 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.898 ns/day, 26.736 hours/ns, 10.390 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.454     | 95.454     | 95.454     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.078757   | 0.078757   | 0.078757   |   0.0 |  0.08
Output  | 0.00012855 | 0.00012855 | 0.00012855 |   0.0 |  0.00
Modify  | 0.63185    | 0.63185    | 0.63185    |   0.0 |  0.66
Other   |            | 0.08403    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733852.0 ave      733852 max      733852 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733852
Ave neighs/atom = 91.731500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.705831413058, Press = 2.65590570371791
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -58369.603   -58369.603   -58673.399   -58673.399    293.82062    293.82062    45577.677    45577.677   -1854.4011   -1854.4011 
   34000   -58371.821   -58371.821   -58675.481   -58675.481    293.68899    293.68899    45558.695    45558.695    82.292555    82.292555 
Loop time of 97.7241 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.884 ns/day, 27.146 hours/ns, 10.233 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 96.914     | 96.914     | 96.914     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.080456   | 0.080456   | 0.080456   |   0.0 |  0.08
Output  | 0.00012978 | 0.00012978 | 0.00012978 |   0.0 |  0.00
Modify  | 0.6414     | 0.6414     | 0.6414     |   0.0 |  0.66
Other   |            | 0.08845    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733794.0 ave      733794 max      733794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733794
Ave neighs/atom = 91.724250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.711635331894, Press = 5.19412027374501
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -58371.821   -58371.821   -58675.481   -58675.481    293.68899    293.68899    45558.695    45558.695    82.292555    82.292555 
   35000   -58376.752   -58376.752   -58681.487   -58681.487     294.7283     294.7283    45505.013    45505.013    4722.6619    4722.6619 
Loop time of 95.6271 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.904 ns/day, 26.563 hours/ns, 10.457 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 94.835     | 94.835     | 94.835     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.078353   | 0.078353   | 0.078353   |   0.0 |  0.08
Output  | 0.00013689 | 0.00013689 | 0.00013689 |   0.0 |  0.00
Modify  | 0.6271     | 0.6271     | 0.6271     |   0.0 |  0.66
Other   |            | 0.08616    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734780.0 ave      734780 max      734780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734780
Ave neighs/atom = 91.847500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.732026921768, Press = 5.02128991580577
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58376.752   -58376.752   -58681.487   -58681.487     294.7283     294.7283    45505.013    45505.013    4722.6619    4722.6619 
   36000   -58371.081   -58371.081   -58679.757   -58679.757       298.54       298.54    45531.551    45531.551    2520.2364    2520.2364 
Loop time of 95.9364 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.901 ns/day, 26.649 hours/ns, 10.424 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 95.141     | 95.141     | 95.141     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079091   | 0.079091   | 0.079091   |   0.0 |  0.08
Output  | 0.00013452 | 0.00013452 | 0.00013452 |   0.0 |  0.00
Modify  | 0.62935    | 0.62935    | 0.62935    |   0.0 |  0.66
Other   |            | 0.08647    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      736896.0 ave      736896 max      736896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 736896
Ave neighs/atom = 92.112000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.752058871213, Press = 1.42578993361636
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58371.081   -58371.081   -58679.757   -58679.757       298.54       298.54    45531.551    45531.551    2520.2364    2520.2364 
   37000    -58373.15    -58373.15   -58674.345   -58674.345    291.30472    291.30472    45548.391    45548.391    858.33408    858.33408 
Loop time of 92.9896 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.929 ns/day, 25.830 hours/ns, 10.754 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 92.218     | 92.218     | 92.218     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07685    | 0.07685    | 0.07685    |   0.0 |  0.08
Output  | 0.00013171 | 0.00013171 | 0.00013171 |   0.0 |  0.00
Modify  | 0.61067    | 0.61067    | 0.61067    |   0.0 |  0.66
Other   |            | 0.08429    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735714.0 ave      735714 max      735714 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735714
Ave neighs/atom = 91.964250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.780314745805, Press = 0.255543135737283
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000    -58373.15    -58373.15   -58674.345   -58674.345    291.30472    291.30472    45548.391    45548.391    858.33408    858.33408 
   38000   -58368.148   -58368.148   -58675.695   -58675.695    297.44774    297.44774    45573.016    45573.016   -1324.0911   -1324.0911 
Loop time of 92.5309 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.934 ns/day, 25.703 hours/ns, 10.807 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 91.75      | 91.75      | 91.75      |   0.0 | 99.16
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07701    | 0.07701    | 0.07701    |   0.0 |  0.08
Output  | 0.00013395 | 0.00013395 | 0.00013395 |   0.0 |  0.00
Modify  | 0.61505    | 0.61505    | 0.61505    |   0.0 |  0.66
Other   |            | 0.08912    |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735040.0 ave      735040 max      735040 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735040
Ave neighs/atom = 91.880000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.820346712867, Press = 0.178939821382563
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -58368.148   -58368.148   -58675.695   -58675.695    297.44774    297.44774    45573.016    45573.016   -1324.0911   -1324.0911 
   39000   -58370.741   -58370.741   -58674.288   -58674.288    293.57976    293.57976    45590.746    45590.746   -3033.4037   -3033.4037 
Loop time of 88.865 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.972 ns/day, 24.685 hours/ns, 11.253 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 88.127     | 88.127     | 88.127     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074809   | 0.074809   | 0.074809   |   0.0 |  0.08
Output  | 0.00013919 | 0.00013919 | 0.00013919 |   0.0 |  0.00
Modify  | 0.58335    | 0.58335    | 0.58335    |   0.0 |  0.66
Other   |            | 0.07918    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734418.0 ave      734418 max      734418 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734418
Ave neighs/atom = 91.802250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.808763121241, Press = 1.10519259084516
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58370.741   -58370.741   -58674.288   -58674.288    293.57976    293.57976    45590.746    45590.746   -3033.4037   -3033.4037 
   40000   -58377.853   -58377.853   -58678.248   -58678.248    290.53076    290.53076    45596.438    45596.438   -3844.1319   -3844.1319 
Loop time of 96.9491 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.891 ns/day, 26.930 hours/ns, 10.315 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 96.151     | 96.151     | 96.151     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.079224   | 0.079224   | 0.079224   |   0.0 |  0.08
Output  | 0.00013487 | 0.00013487 | 0.00013487 |   0.0 |  0.00
Modify  | 0.63384    | 0.63384    | 0.63384    |   0.0 |  0.65
Other   |            | 0.08502    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733404.0 ave      733404 max      733404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733404
Ave neighs/atom = 91.675500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.796859950141, Press = 3.74680511928408
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -58377.853   -58377.853   -58678.248   -58678.248    290.53076    290.53076    45596.438    45596.438   -3844.1319   -3844.1319 
   41000   -58372.624   -58372.624   -58673.375   -58673.375    290.87541    290.87541    45554.057    45554.057    413.65369    413.65369 
Loop time of 97.8425 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.883 ns/day, 27.178 hours/ns, 10.221 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 97.031     | 97.031     | 97.031     |   0.0 | 99.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.080292   | 0.080292   | 0.080292   |   0.0 |  0.08
Output  | 0.00014552 | 0.00014552 | 0.00014552 |   0.0 |  0.00
Modify  | 0.64318    | 0.64318    | 0.64318    |   0.0 |  0.66
Other   |            | 0.08826    |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      733266.0 ave      733266 max      733266 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 733266
Ave neighs/atom = 91.658250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.765835752101, Press = 3.70887800117374
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58372.624   -58372.624   -58673.375   -58673.375    290.87541    290.87541    45554.057    45554.057    413.65369    413.65369 
   42000   -58377.046   -58377.046    -58675.86    -58675.86    289.00102    289.00102    45542.042    45542.042    1415.5545    1415.5545 
Loop time of 99.9771 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.864 ns/day, 27.771 hours/ns, 10.002 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 99.139     | 99.139     | 99.139     |   0.0 | 99.16
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.080737   | 0.080737   | 0.080737   |   0.0 |  0.08
Output  | 0.00012894 | 0.00012894 | 0.00012894 |   0.0 |  0.00
Modify  | 0.66033    | 0.66033    | 0.66033    |   0.0 |  0.66
Other   |            | 0.09639    |            |       |  0.10

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

Total # of neighbors = 734888
Ave neighs/atom = 91.861000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.77121726665, Press = 2.31889451655302
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58377.046   -58377.046    -58675.86    -58675.86    289.00102    289.00102    45542.042    45542.042    1415.5545    1415.5545 
   43000   -58372.278   -58372.278   -58677.817   -58677.817    295.50582    295.50582    45539.136    45539.136    1727.1473    1727.1473 
Loop time of 90.4026 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.956 ns/day, 25.112 hours/ns, 11.062 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 89.641     | 89.641     | 89.641     |   0.0 | 99.16
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075415   | 0.075415   | 0.075415   |   0.0 |  0.08
Output  | 0.00014842 | 0.00014842 | 0.00014842 |   0.0 |  0.00
Modify  | 0.59955    | 0.59955    | 0.59955    |   0.0 |  0.66
Other   |            | 0.08666    |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735210.0 ave      735210 max      735210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735210
Ave neighs/atom = 91.901250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.763476445801, Press = 1.37502136906025
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -58372.278   -58372.278   -58677.817   -58677.817    295.50582    295.50582    45539.136    45539.136    1727.1473    1727.1473 
   44000   -58375.798   -58375.798   -58676.539   -58676.539     290.8658     290.8658    45545.039    45545.039    1189.0953    1189.0953 
Loop time of 87.1809 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.991 ns/day, 24.217 hours/ns, 11.470 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 86.472     | 86.472     | 86.472     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07116    | 0.07116    | 0.07116    |   0.0 |  0.08
Output  | 0.00013538 | 0.00013538 | 0.00013538 |   0.0 |  0.00
Modify  | 0.56446    | 0.56446    | 0.56446    |   0.0 |  0.65
Other   |            | 0.0728     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735524.0 ave      735524 max      735524 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735524
Ave neighs/atom = 91.940500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.768405111394, Press = 0.181274248815476
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -58375.798   -58375.798   -58676.539   -58676.539     290.8658     290.8658    45545.039    45545.039    1189.0953    1189.0953 
   45000   -58372.282   -58372.282   -58675.168   -58675.168    292.94011    292.94011    45574.378    45574.378   -1553.0825   -1553.0825 
Loop time of 85.8562 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.006 ns/day, 23.849 hours/ns, 11.647 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.164     | 85.164     | 85.164     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069847   | 0.069847   | 0.069847   |   0.0 |  0.08
Output  | 0.00013107 | 0.00013107 | 0.00013107 |   0.0 |  0.00
Modify  | 0.55336    | 0.55336    | 0.55336    |   0.0 |  0.64
Other   |            | 0.06916    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735452.0 ave      735452 max      735452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735452
Ave neighs/atom = 91.931500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.777290883955, Press = -1.36451273810037
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58372.282   -58372.282   -58675.168   -58675.168    292.94011    292.94011    45574.378    45574.378   -1553.0825   -1553.0825 
   46000   -58377.773   -58377.773    -58679.27    -58679.27    291.59723    291.59723    45601.625    45601.625   -4501.9139   -4501.9139 
Loop time of 85.8625 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.006 ns/day, 23.851 hours/ns, 11.647 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.171     | 85.171     | 85.171     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069803   | 0.069803   | 0.069803   |   0.0 |  0.08
Output  | 0.00012707 | 0.00012707 | 0.00012707 |   0.0 |  0.00
Modify  | 0.55299    | 0.55299    | 0.55299    |   0.0 |  0.64
Other   |            | 0.06912    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734064.0 ave      734064 max      734064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734064
Ave neighs/atom = 91.758000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.750261684862, Press = 0.470431861560486
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -58377.773   -58377.773    -58679.27    -58679.27    291.59723    291.59723    45601.625    45601.625   -4501.9139   -4501.9139 
   47000   -58376.635   -58376.635   -58677.194   -58677.194    290.68928    290.68928    45570.607    45570.607    -1301.436    -1301.436 
Loop time of 85.6429 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.009 ns/day, 23.790 hours/ns, 11.676 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 84.952     | 84.952     | 84.952     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069736   | 0.069736   | 0.069736   |   0.0 |  0.08
Output  | 0.00012649 | 0.00012649 | 0.00012649 |   0.0 |  0.00
Modify  | 0.55263    | 0.55263    | 0.55263    |   0.0 |  0.65
Other   |            | 0.06885    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      732946.0 ave      732946 max      732946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 732946
Ave neighs/atom = 91.618250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.760036069988, Press = 1.78563320125071
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -58376.635   -58376.635   -58677.194   -58677.194    290.68928    290.68928    45570.607    45570.607    -1301.436    -1301.436 
   48000   -58367.598   -58367.598   -58674.876   -58674.876    297.18765    297.18765     45560.06     45560.06   -215.40502   -215.40502 
Loop time of 85.7357 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.008 ns/day, 23.815 hours/ns, 11.664 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.044     | 85.044     | 85.044     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069897   | 0.069897   | 0.069897   |   0.0 |  0.08
Output  | 0.00012465 | 0.00012465 | 0.00012465 |   0.0 |  0.00
Modify  | 0.55252    | 0.55252    | 0.55252    |   0.0 |  0.64
Other   |            | 0.06894    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734146.0 ave      734146 max      734146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734146
Ave neighs/atom = 91.768250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.76110609458, Press = 2.130405343682
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58367.598   -58367.598   -58674.876   -58674.876    297.18765    297.18765     45560.06     45560.06   -215.40502   -215.40502 
   49000   -58372.584   -58372.584   -58676.771   -58676.771    294.19776    294.19776    45542.741    45542.741    1334.9442    1334.9442 
Loop time of 85.7813 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.007 ns/day, 23.828 hours/ns, 11.658 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.088     | 85.088     | 85.088     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070402   | 0.070402   | 0.070402   |   0.0 |  0.08
Output  | 9.3335e-05 | 9.3335e-05 | 9.3335e-05 |   0.0 |  0.00
Modify  | 0.55362    | 0.55362    | 0.55362    |   0.0 |  0.65
Other   |            | 0.06901    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734946.0 ave      734946 max      734946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734946
Ave neighs/atom = 91.868250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.75669847936, Press = 2.24110312897769
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -58372.584   -58372.584   -58676.771   -58676.771    294.19776    294.19776    45542.741    45542.741    1334.9442    1334.9442 
   50000   -58370.024   -58370.024   -58681.102   -58681.102    300.86274    300.86274    45518.677    45518.677    3692.9326    3692.9326 
Loop time of 85.8596 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.006 ns/day, 23.850 hours/ns, 11.647 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.167     | 85.167     | 85.167     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070043   | 0.070043   | 0.070043   |   0.0 |  0.08
Output  | 0.00012685 | 0.00012685 | 0.00012685 |   0.0 |  0.00
Modify  | 0.55354    | 0.55354    | 0.55354    |   0.0 |  0.64
Other   |            | 0.06902    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735304.0 ave      735304 max      735304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735304
Ave neighs/atom = 91.913000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.748279716952, Press = 1.27677948055836
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -58370.024   -58370.024   -58681.102   -58681.102    300.86274    300.86274    45518.677    45518.677    3692.9326    3692.9326 
   51000   -58381.279   -58381.279    -58681.54    -58681.54    290.40156    290.40156      45529.2      45529.2    2450.2322    2450.2322 
Loop time of 85.8773 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.006 ns/day, 23.855 hours/ns, 11.645 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.184     | 85.184     | 85.184     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070389   | 0.070389   | 0.070389   |   0.0 |  0.08
Output  | 0.00012506 | 0.00012506 | 0.00012506 |   0.0 |  0.00
Modify  | 0.55335    | 0.55335    | 0.55335    |   0.0 |  0.64
Other   |            | 0.06914    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      736210.0 ave      736210 max      736210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 736210
Ave neighs/atom = 92.026250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.730943770002, Press = -0.427408401551929
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58381.279   -58381.279    -58681.54    -58681.54    290.40156    290.40156      45529.2      45529.2    2450.2322    2450.2322 
   52000   -58374.169   -58374.169   -58679.042   -58679.042    294.86167    294.86167    45564.961    45564.961   -711.64267   -711.64267 
Loop time of 86.0289 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.004 ns/day, 23.897 hours/ns, 11.624 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.337     | 85.337     | 85.337     |   0.0 | 99.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069897   | 0.069897   | 0.069897   |   0.0 |  0.08
Output  | 0.0001338  | 0.0001338  | 0.0001338  |   0.0 |  0.00
Modify  | 0.55296    | 0.55296    | 0.55296    |   0.0 |  0.64
Other   |            | 0.06896    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735890.0 ave      735890 max      735890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735890
Ave neighs/atom = 91.986250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.729801375486, Press = 0.158153664631815
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -58374.169   -58374.169   -58679.042   -58679.042    294.86167    294.86167    45564.961    45564.961   -711.64267   -711.64267 
   53000   -58372.627   -58372.627   -58670.037   -58670.037     287.6444     287.6444    45569.766    45569.766   -1130.8488   -1130.8488 
Loop time of 85.7828 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.007 ns/day, 23.829 hours/ns, 11.657 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.09      | 85.09      | 85.09      |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069654   | 0.069654   | 0.069654   |   0.0 |  0.08
Output  | 9.7143e-05 | 9.7143e-05 | 9.7143e-05 |   0.0 |  0.00
Modify  | 0.55354    | 0.55354    | 0.55354    |   0.0 |  0.65
Other   |            | 0.06899    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734120.0 ave      734120 max      734120 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734120
Ave neighs/atom = 91.765000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.72038611889, Press = 1.02791952335073
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -58372.627   -58372.627   -58670.037   -58670.037     287.6444     287.6444    45569.766    45569.766   -1130.8488   -1130.8488 
   54000   -58371.265   -58371.265    -58670.13    -58670.13    289.05144    289.05144     45568.19     45568.19   -707.14921   -707.14921 
Loop time of 85.7352 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.008 ns/day, 23.815 hours/ns, 11.664 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.044     | 85.044     | 85.044     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069773   | 0.069773   | 0.069773   |   0.0 |  0.08
Output  | 0.00012767 | 0.00012767 | 0.00012767 |   0.0 |  0.00
Modify  | 0.55271    | 0.55271    | 0.55271    |   0.0 |  0.64
Other   |            | 0.06873    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734098.0 ave      734098 max      734098 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734098
Ave neighs/atom = 91.762250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.748310842954, Press = 1.44905991991337
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58371.265   -58371.265    -58670.13    -58670.13    289.05144    289.05144     45568.19     45568.19   -707.14921   -707.14921 
   55000   -58364.478   -58364.478   -58673.265   -58673.265    298.64746    298.64746    45561.848    45561.848   -191.93546   -191.93546 
Loop time of 85.9087 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.006 ns/day, 23.864 hours/ns, 11.640 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.213     | 85.213     | 85.213     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070118   | 0.070118   | 0.070118   |   0.0 |  0.08
Output  | 0.00012749 | 0.00012749 | 0.00012749 |   0.0 |  0.00
Modify  | 0.55574    | 0.55574    | 0.55574    |   0.0 |  0.65
Other   |            | 0.06993    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734422.0 ave      734422 max      734422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734422
Ave neighs/atom = 91.802750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.765901467531, Press = 1.96305148263961
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -58364.478   -58364.478   -58673.265   -58673.265    298.64746    298.64746    45561.848    45561.848   -191.93546   -191.93546 
   56000   -58375.117   -58375.117   -58677.092   -58677.092    292.05938    292.05938    45536.064    45536.064    2073.5719    2073.5719 
Loop time of 86.6728 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.997 ns/day, 24.076 hours/ns, 11.538 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.962     | 85.962     | 85.962     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.071542   | 0.071542   | 0.071542   |   0.0 |  0.08
Output  | 0.0001263  | 0.0001263  | 0.0001263  |   0.0 |  0.00
Modify  | 0.5668     | 0.5668     | 0.5668     |   0.0 |  0.65
Other   |            | 0.07225    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734548.0 ave      734548 max      734548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734548
Ave neighs/atom = 91.818500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.796254541321, Press = 2.20902115405125
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58375.117   -58375.117   -58677.092   -58677.092    292.05938    292.05938    45536.064    45536.064    2073.5719    2073.5719 
   57000    -58371.86    -58371.86   -58674.858   -58674.858    293.04806    293.04806    45515.243    45515.243     4159.318     4159.318 
Loop time of 85.8522 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.006 ns/day, 23.848 hours/ns, 11.648 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.156     | 85.156     | 85.156     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069878   | 0.069878   | 0.069878   |   0.0 |  0.08
Output  | 0.00012722 | 0.00012722 | 0.00012722 |   0.0 |  0.00
Modify  | 0.55677    | 0.55677    | 0.55677    |   0.0 |  0.65
Other   |            | 0.06905    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735606.0 ave      735606 max      735606 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735606
Ave neighs/atom = 91.950750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.817637972521, Press = 1.07782695419961
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000    -58371.86    -58371.86   -58674.858   -58674.858    293.04806    293.04806    45515.243    45515.243     4159.318     4159.318 
   58000   -58377.731   -58377.731    -58679.37    -58679.37    291.73355    291.73355     45539.69     45539.69    1641.0126    1641.0126 
Loop time of 85.959 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.005 ns/day, 23.877 hours/ns, 11.633 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.261     | 85.261     | 85.261     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070265   | 0.070265   | 0.070265   |   0.0 |  0.08
Output  | 9.4285e-05 | 9.4285e-05 | 9.4285e-05 |   0.0 |  0.00
Modify  | 0.55774    | 0.55774    | 0.55774    |   0.0 |  0.65
Other   |            | 0.06942    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      736546.0 ave      736546 max      736546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 736546
Ave neighs/atom = 92.068250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.834139209985, Press = 0.0712550334379513
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -58377.731   -58377.731    -58679.37    -58679.37    291.73355    291.73355     45539.69     45539.69    1641.0126    1641.0126 
   59000   -58368.808   -58368.808   -58674.472   -58674.472    295.62725    295.62725    45564.402    45564.402    -311.1184    -311.1184 
Loop time of 85.5752 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.010 ns/day, 23.771 hours/ns, 11.686 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 84.879     | 84.879     | 84.879     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069837   | 0.069837   | 0.069837   |   0.0 |  0.08
Output  | 0.00012732 | 0.00012732 | 0.00012732 |   0.0 |  0.00
Modify  | 0.55707    | 0.55707    | 0.55707    |   0.0 |  0.65
Other   |            | 0.06933    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735562.0 ave      735562 max      735562 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735562
Ave neighs/atom = 91.945250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.84882213408, Press = 0.553270714019946
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -58368.808   -58368.808   -58674.472   -58674.472    295.62725    295.62725    45564.402    45564.402    -311.1184    -311.1184 
   60000    -58367.41    -58367.41   -58674.457   -58674.457    296.96419    296.96419      45566.7      45566.7   -574.71247   -574.71247 
Loop time of 85.4942 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.011 ns/day, 23.748 hours/ns, 11.697 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 84.801     | 84.801     | 84.801     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070275   | 0.070275   | 0.070275   |   0.0 |  0.08
Output  | 0.00012735 | 0.00012735 | 0.00012735 |   0.0 |  0.00
Modify  | 0.55415    | 0.55415    | 0.55415    |   0.0 |  0.65
Other   |            | 0.0691     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734394.0 ave      734394 max      734394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734394
Ave neighs/atom = 91.799250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.85413063941, Press = 1.00038708893669
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000    -58367.41    -58367.41   -58674.457   -58674.457    296.96419    296.96419      45566.7      45566.7   -574.71247   -574.71247 
   61000   -58373.203   -58373.203   -58679.139   -58679.139    295.89057    295.89057    45565.832    45565.832   -784.99801   -784.99801 
Loop time of 85.7566 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.008 ns/day, 23.821 hours/ns, 11.661 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.064     | 85.064     | 85.064     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069749   | 0.069749   | 0.069749   |   0.0 |  0.08
Output  | 0.00012706 | 0.00012706 | 0.00012706 |   0.0 |  0.00
Modify  | 0.55327    | 0.55327    | 0.55327    |   0.0 |  0.65
Other   |            | 0.06916    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734794.0 ave      734794 max      734794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734794
Ave neighs/atom = 91.849250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.886007860459, Press = 1.07184846111407
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -58373.203   -58373.203   -58679.139   -58679.139    295.89057    295.89057    45565.832    45565.832   -784.99801   -784.99801 
   62000   -58368.202   -58368.202   -58669.744   -58669.744    291.64026    291.64026    45565.423    45565.423   -430.96248   -430.96248 
Loop time of 85.7603 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.007 ns/day, 23.822 hours/ns, 11.660 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.067     | 85.067     | 85.067     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069734   | 0.069734   | 0.069734   |   0.0 |  0.08
Output  | 0.00010787 | 0.00010787 | 0.00010787 |   0.0 |  0.00
Modify  | 0.55428    | 0.55428    | 0.55428    |   0.0 |  0.65
Other   |            | 0.06956    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734520.0 ave      734520 max      734520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734520
Ave neighs/atom = 91.815000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.893453194943, Press = 1.58997110717675
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -58368.202   -58368.202   -58669.744   -58669.744    291.64026    291.64026    45565.423    45565.423   -430.96248   -430.96248 
   63000   -58373.925   -58373.925   -58674.749   -58674.749    290.94653    290.94653    45547.735    45547.735    892.81916    892.81916 
Loop time of 87.0485 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.993 ns/day, 24.180 hours/ns, 11.488 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 86.337     | 86.337     | 86.337     |   0.0 | 99.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07199    | 0.07199    | 0.07199    |   0.0 |  0.08
Output  | 0.00014058 | 0.00014058 | 0.00014058 |   0.0 |  0.00
Modify  | 0.56629    | 0.56629    | 0.56629    |   0.0 |  0.65
Other   |            | 0.07307    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      734492.0 ave      734492 max      734492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 734492
Ave neighs/atom = 91.811500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.921731041815, Press = 1.94004805870566
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -58373.925   -58373.925   -58674.749   -58674.749    290.94653    290.94653    45547.735    45547.735    892.81916    892.81916 
   64000   -58367.799   -58367.799   -58670.474   -58670.474      292.736      292.736    45526.003    45526.003    3310.0401    3310.0401 
Loop time of 85.765 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.007 ns/day, 23.824 hours/ns, 11.660 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.069     | 85.069     | 85.069     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070094   | 0.070094   | 0.070094   |   0.0 |  0.08
Output  | 0.00012892 | 0.00012892 | 0.00012892 |   0.0 |  0.00
Modify  | 0.55622    | 0.55622    | 0.55622    |   0.0 |  0.65
Other   |            | 0.06936    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735118.0 ave      735118 max      735118 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735118
Ave neighs/atom = 91.889750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.932937992734, Press = 1.52327590574579
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -58367.799   -58367.799   -58670.474   -58670.474      292.736      292.736    45526.003    45526.003    3310.0401    3310.0401 
   65000   -58374.449   -58374.449   -58674.639   -58674.639     290.3322     290.3322    45530.534    45530.534    2679.1959    2679.1959 
Loop time of 85.7055 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.008 ns/day, 23.807 hours/ns, 11.668 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.01      | 85.01      | 85.01      |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070034   | 0.070034   | 0.070034   |   0.0 |  0.08
Output  | 0.00012971 | 0.00012971 | 0.00012971 |   0.0 |  0.00
Modify  | 0.55623    | 0.55623    | 0.55623    |   0.0 |  0.65
Other   |            | 0.06949    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735990.0 ave      735990 max      735990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735990
Ave neighs/atom = 91.998750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.939227353032, Press = 0.467467118767706
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.19 | 11.19 | 11.19 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -58374.449   -58374.449   -58674.639   -58674.639     290.3322     290.3322    45530.534    45530.534    2679.1959    2679.1959 
   66000   -58365.471   -58365.471   -58671.021   -58671.021    295.51678    295.51678    45554.766    45554.766    382.50201    382.50201 
Loop time of 85.8107 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.007 ns/day, 23.836 hours/ns, 11.654 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.118     | 85.118     | 85.118     |   0.0 | 99.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069688   | 0.069688   | 0.069688   |   0.0 |  0.08
Output  | 0.00013977 | 0.00013977 | 0.00013977 |   0.0 |  0.00
Modify  | 0.5534     | 0.5534     | 0.5534     |   0.0 |  0.64
Other   |            | 0.06897    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      735824.0 ave      735824 max      735824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 735824
Ave neighs/atom = 91.978000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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
45557.6503529684

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0