# 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 5.431230753660202*${_u_distance}
variable latticeconst_converted equal 5.431230753660202*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  5.4312307536602
Lattice spacing in x,y,z = 5.4312308 5.4312308 5.4312308
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 (54.312308 54.312308 54.312308)
  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 (54.312308 54.312308 54.312308)
  create_atoms CPU = 0.002 seconds

variable mass_converted equal 28.0855*${_u_mass}
variable mass_converted equal 28.0855*1

kim_interactions Si

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

kim interactions Si
#=== BEGIN kim interactions ==================================
pair_style kim Tersoff_LAMMPS_Tersoff_1988T2_Si__MO_245095684871_004
pair_coeff * * Si
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 28.0855

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 160211.897623003    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 160211.897623003/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 160211.897623003/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 160211.897623003/(1*1*${_u_distance})
variable      V0_metal equal 160211.897623003/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 160211.897623003*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 160211.897623003 Angstroms^3

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

variable temp_converted equal 333.15*${_u_temperature}
variable temp_converted equal 333.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 333.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "333.15 - 0.2"
variable      T_up  equal  "333.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_245095684871_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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -36698.836   -36698.836   -37043.297   -37043.297       333.15       333.15     160211.9     160211.9    2296.4868    2296.4868 
    1000   -36316.434   -36316.434   -36666.258   -36666.258    338.33645    338.33645    159931.08    159931.08   -655.77172   -655.77172 
Loop time of 52.3409 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.651 ns/day, 14.539 hours/ns, 19.106 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.665     | 51.665     | 51.665     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046361   | 0.046361   | 0.046361   |   0.0 |  0.09
Output  | 0.00026603 | 0.00026603 | 0.00026603 |   0.0 |  0.00
Modify  | 0.56272    | 0.56272    | 0.56272    |   0.0 |  1.08
Other   |            | 0.06637    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4995.00 ave        4995 max        4995 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:      224000.0 ave      224000 max      224000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224000
Ave neighs/atom = 28.000000
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -36316.434   -36316.434   -36666.258   -36666.258    338.33645    338.33645    159931.08    159931.08   -655.77172   -655.77172 
    2000   -36353.623   -36353.623   -36691.528   -36691.528    326.80894    326.80894    159866.38    159866.38    -43.11862    -43.11862 
Loop time of 52.9643 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.631 ns/day, 14.712 hours/ns, 18.881 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.169     | 52.169     | 52.169     |   0.0 | 98.50
Neigh   | 0.11458    | 0.11458    | 0.11458    |   0.0 |  0.22
Comm    | 0.04917    | 0.04917    | 0.04917    |   0.0 |  0.09
Output  | 0.00016387 | 0.00016387 | 0.00016387 |   0.0 |  0.00
Modify  | 0.56378    | 0.56378    | 0.56378    |   0.0 |  1.06
Other   |            | 0.06734    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5035.00 ave        5035 max        5035 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:      227116.0 ave      227116 max      227116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227116
Ave neighs/atom = 28.389500
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -36353.623   -36353.623   -36691.528   -36691.528    326.80894    326.80894    159866.38    159866.38    -43.11862    -43.11862 
    3000   -36330.347   -36330.347   -36681.157   -36681.157    339.29061    339.29061    160101.39    160101.39   -1469.2213   -1469.2213 
Loop time of 53.2623 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.622 ns/day, 14.795 hours/ns, 18.775 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.377     | 52.377     | 52.377     |   0.0 | 98.34
Neigh   | 0.19665    | 0.19665    | 0.19665    |   0.0 |  0.37
Comm    | 0.05057    | 0.05057    | 0.05057    |   0.0 |  0.09
Output  | 0.00015729 | 0.00015729 | 0.00015729 |   0.0 |  0.00
Modify  | 0.56865    | 0.56865    | 0.56865    |   0.0 |  1.07
Other   |            | 0.06941    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5058.00 ave        5058 max        5058 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:      227288.0 ave      227288 max      227288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227288
Ave neighs/atom = 28.411000
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -36330.347   -36330.347   -36681.157   -36681.157    339.29061    339.29061    160101.39    160101.39   -1469.2213   -1469.2213 
    4000   -36345.885   -36345.885   -36692.587   -36692.587    335.31768    335.31768    160008.67    160008.67   -633.93608   -633.93608 
Loop time of 53.308 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.621 ns/day, 14.808 hours/ns, 18.759 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.431     | 52.431     | 52.431     |   0.0 | 98.36
Neigh   | 0.18926    | 0.18926    | 0.18926    |   0.0 |  0.36
Comm    | 0.050328   | 0.050328   | 0.050328   |   0.0 |  0.09
Output  | 0.00017805 | 0.00017805 | 0.00017805 |   0.0 |  0.00
Modify  | 0.56812    | 0.56812    | 0.56812    |   0.0 |  1.07
Other   |            | 0.069      |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5056.00 ave        5056 max        5056 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:      227066.0 ave      227066 max      227066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227066
Ave neighs/atom = 28.383250
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -36345.885   -36345.885   -36692.587   -36692.587    335.31768    335.31768    160008.67    160008.67   -633.93608   -633.93608 
    5000   -36329.017   -36329.017   -36688.036   -36688.036    347.22987    347.22987    160074.57    160074.57   -739.31684   -739.31684 
Loop time of 53.0958 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.627 ns/day, 14.749 hours/ns, 18.834 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.409     | 52.409     | 52.409     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046657   | 0.046657   | 0.046657   |   0.0 |  0.09
Output  | 0.00012383 | 0.00012383 | 0.00012383 |   0.0 |  0.00
Modify  | 0.57139    | 0.57139    | 0.57139    |   0.0 |  1.08
Other   |            | 0.06879    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5056.00 ave        5056 max        5056 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:      227028.0 ave      227028 max      227028 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227028
Ave neighs/atom = 28.378500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 340.460817199802, Press = -506.318973699849
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -36329.017   -36329.017   -36688.036   -36688.036    347.22987    347.22987    160074.57    160074.57   -739.31684   -739.31684 
    6000    -36348.05    -36348.05   -36689.377   -36689.377    330.11937    330.11937    159806.88    159806.88    13.210734    13.210734 
Loop time of 53.3002 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.621 ns/day, 14.806 hours/ns, 18.762 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.45      | 52.45      | 52.45      |   0.0 | 98.41
Neigh   | 0.15151    | 0.15151    | 0.15151    |   0.0 |  0.28
Comm    | 0.049709   | 0.049709   | 0.049709   |   0.0 |  0.09
Output  | 0.00013004 | 0.00013004 | 0.00013004 |   0.0 |  0.00
Modify  | 0.57983    | 0.57983    | 0.57983    |   0.0 |  1.09
Other   |            | 0.06875    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5080.00 ave        5080 max        5080 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:      227330.0 ave      227330 max      227330 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227330
Ave neighs/atom = 28.416250
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.862286317321, Press = -75.2170627806552
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000    -36348.05    -36348.05   -36689.377   -36689.377    330.11937    330.11937    159806.88    159806.88    13.210734    13.210734 
    7000   -36336.535   -36336.535   -36678.025   -36678.025    330.27709    330.27709    159867.64    159867.64   -317.40626   -317.40626 
Loop time of 53.5922 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.612 ns/day, 14.887 hours/ns, 18.659 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.691     | 52.691     | 52.691     |   0.0 | 98.32
Neigh   | 0.19432    | 0.19432    | 0.19432    |   0.0 |  0.36
Comm    | 0.050437   | 0.050437   | 0.050437   |   0.0 |  0.09
Output  | 0.00012147 | 0.00012147 | 0.00012147 |   0.0 |  0.00
Modify  | 0.58521    | 0.58521    | 0.58521    |   0.0 |  1.09
Other   |            | 0.0709     |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5049.00 ave        5049 max        5049 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:      227222.0 ave      227222 max      227222 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227222
Ave neighs/atom = 28.402750
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.470141477093, Press = -12.1667070359344
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -36336.535   -36336.535   -36678.025   -36678.025    330.27709    330.27709    159867.64    159867.64   -317.40626   -317.40626 
    8000   -36343.645   -36343.645   -36687.528   -36687.528    332.59151    332.59151    159895.34    159895.34 -0.045636461 -0.045636461 
Loop time of 53.2144 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.624 ns/day, 14.782 hours/ns, 18.792 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.325     | 52.325     | 52.325     |   0.0 | 98.33
Neigh   | 0.19461    | 0.19461    | 0.19461    |   0.0 |  0.37
Comm    | 0.049946   | 0.049946   | 0.049946   |   0.0 |  0.09
Output  | 0.00012821 | 0.00012821 | 0.00012821 |   0.0 |  0.00
Modify  | 0.57679    | 0.57679    | 0.57679    |   0.0 |  1.08
Other   |            | 0.06832    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5068.00 ave        5068 max        5068 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:      227114.0 ave      227114 max      227114 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227114
Ave neighs/atom = 28.389250
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.332517186152, Press = 1.60185240864069
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -36343.645   -36343.645   -36687.528   -36687.528    332.59151    332.59151    159895.34    159895.34 -0.045636461 -0.045636461 
    9000   -36335.798   -36335.798   -36685.424   -36685.424    338.14502    338.14502    159930.29    159930.29   -372.03067   -372.03067 
Loop time of 53.639 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.611 ns/day, 14.900 hours/ns, 18.643 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.7       | 52.7       | 52.7       |   0.0 | 98.25
Neigh   | 0.23079    | 0.23079    | 0.23079    |   0.0 |  0.43
Comm    | 0.051181   | 0.051181   | 0.051181   |   0.0 |  0.10
Output  | 0.00017925 | 0.00017925 | 0.00017925 |   0.0 |  0.00
Modify  | 0.58551    | 0.58551    | 0.58551    |   0.0 |  1.09
Other   |            | 0.0709     |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5053.00 ave        5053 max        5053 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:      227200.0 ave      227200 max      227200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227200
Ave neighs/atom = 28.400000
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.308843990004, Press = -5.05062932395849
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -36335.798   -36335.798   -36685.424   -36685.424    338.14502    338.14502    159930.29    159930.29   -372.03067   -372.03067 
   10000   -36341.806   -36341.806   -36688.605   -36688.605    335.41172    335.41172    159850.47    159850.47   -31.719473   -31.719473 
Loop time of 53.3017 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.621 ns/day, 14.806 hours/ns, 18.761 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.484     | 52.484     | 52.484     |   0.0 | 98.47
Neigh   | 0.1159     | 0.1159     | 0.1159     |   0.0 |  0.22
Comm    | 0.049341   | 0.049341   | 0.049341   |   0.0 |  0.09
Output  | 0.00012801 | 0.00012801 | 0.00012801 |   0.0 |  0.00
Modify  | 0.58253    | 0.58253    | 0.58253    |   0.0 |  1.09
Other   |            | 0.06996    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5059.00 ave        5059 max        5059 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:      227458.0 ave      227458 max      227458 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227458
Ave neighs/atom = 28.432250
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.271692473189, Press = -5.24138476442315
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -36341.806   -36341.806   -36688.605   -36688.605    335.41172    335.41172    159850.47    159850.47   -31.719473   -31.719473 
   11000   -36342.697   -36342.697   -36690.197   -36690.197    336.08915    336.08915    159905.15    159905.15   -198.66207   -198.66207 
Loop time of 53.3879 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.618 ns/day, 14.830 hours/ns, 18.731 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.46      | 52.46      | 52.46      |   0.0 | 98.26
Neigh   | 0.22559    | 0.22559    | 0.22559    |   0.0 |  0.42
Comm    | 0.051042   | 0.051042   | 0.051042   |   0.0 |  0.10
Output  | 9.7525e-05 | 9.7525e-05 | 9.7525e-05 |   0.0 |  0.00
Modify  | 0.58197    | 0.58197    | 0.58197    |   0.0 |  1.09
Other   |            | 0.0693     |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5059.00 ave        5059 max        5059 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:      227450.0 ave      227450 max      227450 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227450
Ave neighs/atom = 28.431250
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.08294527729, Press = -7.76178268312038
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -36342.697   -36342.697   -36690.197   -36690.197    336.08915    336.08915    159905.15    159905.15   -198.66207   -198.66207 
   12000   -36338.954   -36338.954   -36685.866   -36685.866    335.52007    335.52007    159797.22    159797.22    427.44781    427.44781 
Loop time of 52.863 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.634 ns/day, 14.684 hours/ns, 18.917 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.172     | 52.172     | 52.172     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047091   | 0.047091   | 0.047091   |   0.0 |  0.09
Output  | 0.00012607 | 0.00012607 | 0.00012607 |   0.0 |  0.00
Modify  | 0.57725    | 0.57725    | 0.57725    |   0.0 |  1.09
Other   |            | 0.06685    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5046.00 ave        5046 max        5046 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:      227278.0 ave      227278 max      227278 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227278
Ave neighs/atom = 28.409750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.156650595274, Press = -2.69665608016412
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -36338.954   -36338.954   -36685.866   -36685.866    335.52007    335.52007    159797.22    159797.22    427.44781    427.44781 
   13000   -36347.706   -36347.706   -36689.478   -36689.478    330.54981    330.54981    159906.53    159906.53   -371.69271   -371.69271 
Loop time of 52.8622 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.634 ns/day, 14.684 hours/ns, 18.917 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.007     | 52.007     | 52.007     |   0.0 | 98.38
Neigh   | 0.16011    | 0.16011    | 0.16011    |   0.0 |  0.30
Comm    | 0.050071   | 0.050071   | 0.050071   |   0.0 |  0.09
Output  | 0.00021094 | 0.00021094 | 0.00021094 |   0.0 |  0.00
Modify  | 0.57645    | 0.57645    | 0.57645    |   0.0 |  1.09
Other   |            | 0.0687     |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5042.00 ave        5042 max        5042 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:      227046.0 ave      227046 max      227046 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227046
Ave neighs/atom = 28.380750
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.0922536058, Press = -2.64131981856233
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -36347.706   -36347.706   -36689.478   -36689.478    330.54981    330.54981    159906.53    159906.53   -371.69271   -371.69271 
   14000   -36340.958   -36340.958   -36686.187   -36686.187    333.89294    333.89294    159767.68    159767.68    381.34739    381.34739 
Loop time of 53.4771 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.616 ns/day, 14.855 hours/ns, 18.700 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    | 52.578     | 52.578     | 52.578     |   0.0 | 98.32
Neigh   | 0.19318    | 0.19318    | 0.19318    |   0.0 |  0.36
Comm    | 0.050709   | 0.050709   | 0.050709   |   0.0 |  0.09
Output  | 0.00012155 | 0.00012155 | 0.00012155 |   0.0 |  0.00
Modify  | 0.58471    | 0.58471    | 0.58471    |   0.0 |  1.09
Other   |            | 0.07019    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5070.00 ave        5070 max        5070 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:      227382.0 ave      227382 max      227382 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227382
Ave neighs/atom = 28.422750
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.21028222208, Press = -6.51330963625655
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -36340.958   -36340.958   -36686.187   -36686.187    333.89294    333.89294    159767.68    159767.68    381.34739    381.34739 
   15000    -36342.34    -36342.34   -36687.497   -36687.497    333.82274    333.82274    159941.39    159941.39   -613.94593   -613.94593 
Loop time of 53.0933 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.627 ns/day, 14.748 hours/ns, 18.835 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.209     | 52.209     | 52.209     |   0.0 | 98.33
Neigh   | 0.19089    | 0.19089    | 0.19089    |   0.0 |  0.36
Comm    | 0.049965   | 0.049965   | 0.049965   |   0.0 |  0.09
Output  | 0.00014389 | 0.00014389 | 0.00014389 |   0.0 |  0.00
Modify  | 0.57663    | 0.57663    | 0.57663    |   0.0 |  1.09
Other   |            | 0.06718    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5039.00 ave        5039 max        5039 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:      227400.0 ave      227400 max      227400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227400
Ave neighs/atom = 28.425000
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.196759683995, Press = -4.72841858573203
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000    -36342.34    -36342.34   -36687.497   -36687.497    333.82274    333.82274    159941.39    159941.39   -613.94593   -613.94593 
   16000   -36339.298   -36339.298   -36686.389   -36686.389    335.69289    335.69289    159712.85    159712.85     671.3247     671.3247 
Loop time of 52.8755 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.634 ns/day, 14.688 hours/ns, 18.912 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.111     | 52.111     | 52.111     |   0.0 | 98.55
Neigh   | 0.074979   | 0.074979   | 0.074979   |   0.0 |  0.14
Comm    | 0.048755   | 0.048755   | 0.048755   |   0.0 |  0.09
Output  | 0.00012346 | 0.00012346 | 0.00012346 |   0.0 |  0.00
Modify  | 0.57413    | 0.57413    | 0.57413    |   0.0 |  1.09
Other   |            | 0.06628    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5062.00 ave        5062 max        5062 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:      227558.0 ave      227558 max      227558 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227558
Ave neighs/atom = 28.444750
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.112857151743, Press = -3.63427663057861
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -36339.298   -36339.298   -36686.389   -36686.389    335.69289    335.69289    159712.85    159712.85     671.3247     671.3247 
   17000   -36337.872   -36337.872   -36685.653   -36685.653     336.3609     336.3609    159688.03    159688.03    734.64153    734.64153 
Loop time of 53.1181 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.627 ns/day, 14.755 hours/ns, 18.826 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.201     | 52.201     | 52.201     |   0.0 | 98.27
Neigh   | 0.22882    | 0.22882    | 0.22882    |   0.0 |  0.43
Comm    | 0.049334   | 0.049334   | 0.049334   |   0.0 |  0.09
Output  | 0.00012302 | 0.00012302 | 0.00012302 |   0.0 |  0.00
Modify  | 0.57246    | 0.57246    | 0.57246    |   0.0 |  1.08
Other   |            | 0.06661    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5072.00 ave        5072 max        5072 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:      227546.0 ave      227546 max      227546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227546
Ave neighs/atom = 28.443250
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.099055071003, Press = -2.39137141705666
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -36337.872   -36337.872   -36685.653   -36685.653     336.3609     336.3609    159688.03    159688.03    734.64153    734.64153 
   18000    -36338.28    -36338.28   -36684.456   -36684.456    334.80897    334.80897    159927.35    159927.35   -607.54064   -607.54064 
Loop time of 52.9023 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.633 ns/day, 14.695 hours/ns, 18.903 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.056     | 52.056     | 52.056     |   0.0 | 98.40
Neigh   | 0.15559    | 0.15559    | 0.15559    |   0.0 |  0.29
Comm    | 0.04961    | 0.04961    | 0.04961    |   0.0 |  0.09
Output  | 0.00019424 | 0.00019424 | 0.00019424 |   0.0 |  0.00
Modify  | 0.57358    | 0.57358    | 0.57358    |   0.0 |  1.08
Other   |            | 0.06726    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5060.00 ave        5060 max        5060 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:      227492.0 ave      227492 max      227492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227492
Ave neighs/atom = 28.436500
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.220631467706, Press = -2.12100417937731
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000    -36338.28    -36338.28   -36684.456   -36684.456    334.80897    334.80897    159927.35    159927.35   -607.54064   -607.54064 
   19000   -36345.599   -36345.599   -36685.744   -36685.744    328.97529    328.97529    159908.24    159908.24   -656.45242   -656.45242 
Loop time of 52.7228 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.639 ns/day, 14.645 hours/ns, 18.967 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.036     | 52.036     | 52.036     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046918   | 0.046918   | 0.046918   |   0.0 |  0.09
Output  | 0.00014466 | 0.00014466 | 0.00014466 |   0.0 |  0.00
Modify  | 0.57333    | 0.57333    | 0.57333    |   0.0 |  1.09
Other   |            | 0.06676    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5068.00 ave        5068 max        5068 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:      227304.0 ave      227304 max      227304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227304
Ave neighs/atom = 28.413000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.175783863126, Press = -2.57767510187691
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -36345.599   -36345.599   -36685.744   -36685.744    328.97529    328.97529    159908.24    159908.24   -656.45242   -656.45242 
   20000   -36340.425   -36340.425   -36686.792   -36686.792    334.99369    334.99369    159841.63    159841.63    100.42324    100.42324 
Loop time of 52.3011 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.652 ns/day, 14.528 hours/ns, 19.120 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.514     | 51.514     | 51.514     |   0.0 | 98.49
Neigh   | 0.11323    | 0.11323    | 0.11323    |   0.0 |  0.22
Comm    | 0.048357   | 0.048357   | 0.048357   |   0.0 |  0.09
Output  | 0.00019462 | 0.00019462 | 0.00019462 |   0.0 |  0.00
Modify  | 0.56219    | 0.56219    | 0.56219    |   0.0 |  1.07
Other   |            | 0.06353    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5054.00 ave        5054 max        5054 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:      227494.0 ave      227494 max      227494 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227494
Ave neighs/atom = 28.436750
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.169975028385, Press = -2.84474507629462
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -36340.425   -36340.425   -36686.792   -36686.792    334.99369    334.99369    159841.63    159841.63    100.42324    100.42324 
   21000   -36348.602   -36348.602   -36691.786   -36691.786    331.91554    331.91554    160004.65    160004.65   -677.69904   -677.69904 
Loop time of 52.0052 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.661 ns/day, 14.446 hours/ns, 19.229 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.191     | 51.191     | 51.191     |   0.0 | 98.44
Neigh   | 0.14949    | 0.14949    | 0.14949    |   0.0 |  0.29
Comm    | 0.047469   | 0.047469   | 0.047469   |   0.0 |  0.09
Output  | 9.543e-05  | 9.543e-05  | 9.543e-05  |   0.0 |  0.00
Modify  | 0.55587    | 0.55587    | 0.55587    |   0.0 |  1.07
Other   |            | 0.06092    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5070.00 ave        5070 max        5070 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:      227218.0 ave      227218 max      227218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227218
Ave neighs/atom = 28.402250
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.067853560076, Press = 0.218892523667358
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -36348.602   -36348.602   -36691.786   -36691.786    331.91554    331.91554    160004.65    160004.65   -677.69904   -677.69904 
   22000   -36332.227   -36332.227   -36681.672   -36681.672    337.97044    337.97044       159794       159794     101.4134     101.4134 
Loop time of 52.0355 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.660 ns/day, 14.454 hours/ns, 19.218 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.22      | 51.22      | 51.22      |   0.0 | 98.43
Neigh   | 0.15059    | 0.15059    | 0.15059    |   0.0 |  0.29
Comm    | 0.048192   | 0.048192   | 0.048192   |   0.0 |  0.09
Output  | 0.0001293  | 0.0001293  | 0.0001293  |   0.0 |  0.00
Modify  | 0.55605    | 0.55605    | 0.55605    |   0.0 |  1.07
Other   |            | 0.06088    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5083.00 ave        5083 max        5083 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:      227502.0 ave      227502 max      227502 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227502
Ave neighs/atom = 28.437750
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.079705082649, Press = -0.969476156548019
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -36332.227   -36332.227   -36681.672   -36681.672    337.97044    337.97044       159794       159794     101.4134     101.4134 
   23000   -36344.289   -36344.289   -36685.558   -36685.558    330.06255    330.06255    159708.15    159708.15    513.25204    513.25204 
Loop time of 51.9543 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.663 ns/day, 14.432 hours/ns, 19.248 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.213     | 51.213     | 51.213     |   0.0 | 98.57
Neigh   | 0.074864   | 0.074864   | 0.074864   |   0.0 |  0.14
Comm    | 0.047218   | 0.047218   | 0.047218   |   0.0 |  0.09
Output  | 0.00013541 | 0.00013541 | 0.00013541 |   0.0 |  0.00
Modify  | 0.55685    | 0.55685    | 0.55685    |   0.0 |  1.07
Other   |            | 0.06185    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5056.00 ave        5056 max        5056 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:      227380.0 ave      227380 max      227380 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227380
Ave neighs/atom = 28.422500
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.076714758428, Press = -2.10291431818161
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -36344.289   -36344.289   -36685.558   -36685.558    330.06255    330.06255    159708.15    159708.15    513.25204    513.25204 
   24000   -36351.288   -36351.288   -36694.032   -36694.032    331.48905    331.48905    159806.69    159806.69    233.32262    233.32262 
Loop time of 52.0102 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.661 ns/day, 14.447 hours/ns, 19.227 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.232     | 51.232     | 51.232     |   0.0 | 98.50
Neigh   | 0.11219    | 0.11219    | 0.11219    |   0.0 |  0.22
Comm    | 0.047787   | 0.047787   | 0.047787   |   0.0 |  0.09
Output  | 0.00012064 | 0.00012064 | 0.00012064 |   0.0 |  0.00
Modify  | 0.55655    | 0.55655    | 0.55655    |   0.0 |  1.07
Other   |            | 0.06173    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5078.00 ave        5078 max        5078 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:      227386.0 ave      227386 max      227386 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227386
Ave neighs/atom = 28.423250
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.056921457407, Press = -1.64109238082944
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -36351.288   -36351.288   -36694.032   -36694.032    331.48905    331.48905    159806.69    159806.69    233.32262    233.32262 
   25000   -36341.634   -36341.634   -36683.473   -36683.473    330.61332    330.61332    159740.44    159740.44    433.55992    433.55992 
Loop time of 52.1021 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.658 ns/day, 14.473 hours/ns, 19.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.216     | 51.216     | 51.216     |   0.0 | 98.30
Neigh   | 0.22415    | 0.22415    | 0.22415    |   0.0 |  0.43
Comm    | 0.047923   | 0.047923   | 0.047923   |   0.0 |  0.09
Output  | 0.00011225 | 0.00011225 | 0.00011225 |   0.0 |  0.00
Modify  | 0.55338    | 0.55338    | 0.55338    |   0.0 |  1.06
Other   |            | 0.0606     |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5055.00 ave        5055 max        5055 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:      227648.0 ave      227648 max      227648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227648
Ave neighs/atom = 28.456000
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.075922097817, Press = -2.02629080756574
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -36341.634   -36341.634   -36683.473   -36683.473    330.61332    330.61332    159740.44    159740.44    433.55992    433.55992 
   26000   -36346.433   -36346.433   -36687.178   -36687.178    329.55605    329.55605    159857.44    159857.44   -443.74649   -443.74649 
Loop time of 51.9473 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.663 ns/day, 14.430 hours/ns, 19.250 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.243     | 51.243     | 51.243     |   0.0 | 98.64
Neigh   | 0.037731   | 0.037731   | 0.037731   |   0.0 |  0.07
Comm    | 0.04732    | 0.04732    | 0.04732    |   0.0 |  0.09
Output  | 0.00010784 | 0.00010784 | 0.00010784 |   0.0 |  0.00
Modify  | 0.55675    | 0.55675    | 0.55675    |   0.0 |  1.07
Other   |            | 0.06228    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5051.00 ave        5051 max        5051 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:      227570.0 ave      227570 max      227570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227570
Ave neighs/atom = 28.446250
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.062690933876, Press = -1.96944097640377
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -36346.433   -36346.433   -36687.178   -36687.178    329.55605    329.55605    159857.44    159857.44   -443.74649   -443.74649 
   27000   -36346.603   -36346.603   -36689.809   -36689.809    331.93663    331.93663    159536.29    159536.29    1921.1425    1921.1425 
Loop time of 52.0236 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.661 ns/day, 14.451 hours/ns, 19.222 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.207     | 51.207     | 51.207     |   0.0 | 98.43
Neigh   | 0.14994    | 0.14994    | 0.14994    |   0.0 |  0.29
Comm    | 0.04798    | 0.04798    | 0.04798    |   0.0 |  0.09
Output  | 0.00012051 | 0.00012051 | 0.00012051 |   0.0 |  0.00
Modify  | 0.55686    | 0.55686    | 0.55686    |   0.0 |  1.07
Other   |            | 0.06164    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5032.00 ave        5032 max        5032 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:      227376.0 ave      227376 max      227376 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227376
Ave neighs/atom = 28.422000
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.035052875632, Press = -1.18378848873569
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -36346.603   -36346.603   -36689.809   -36689.809    331.93663    331.93663    159536.29    159536.29    1921.1425    1921.1425 
   28000   -36339.511   -36339.511   -36684.813   -36684.813    333.96412    333.96412    159676.08    159676.08    950.53176    950.53176 
Loop time of 52.1131 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.658 ns/day, 14.476 hours/ns, 19.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.258     | 51.258     | 51.258     |   0.0 | 98.36
Neigh   | 0.18769    | 0.18769    | 0.18769    |   0.0 |  0.36
Comm    | 0.048535   | 0.048535   | 0.048535   |   0.0 |  0.09
Output  | 0.00012069 | 0.00012069 | 0.00012069 |   0.0 |  0.00
Modify  | 0.55732    | 0.55732    | 0.55732    |   0.0 |  1.07
Other   |            | 0.06144    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5041.00 ave        5041 max        5041 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:      227486.0 ave      227486 max      227486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227486
Ave neighs/atom = 28.435750
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.963450981779, Press = -0.705470158018291
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -36339.511   -36339.511   -36684.813   -36684.813    333.96412    333.96412    159676.08    159676.08    950.53176    950.53176 
   29000   -36350.137   -36350.137   -36689.586   -36689.586    328.30221    328.30221    159768.42    159768.42    286.25962    286.25962 
Loop time of 52.093 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.659 ns/day, 14.470 hours/ns, 19.196 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    | 51.239     | 51.239     | 51.239     |   0.0 | 98.36
Neigh   | 0.18724    | 0.18724    | 0.18724    |   0.0 |  0.36
Comm    | 0.04862    | 0.04862    | 0.04862    |   0.0 |  0.09
Output  | 0.00010703 | 0.00010703 | 0.00010703 |   0.0 |  0.00
Modify  | 0.55706    | 0.55706    | 0.55706    |   0.0 |  1.07
Other   |            | 0.06137    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5056.00 ave        5056 max        5056 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:      227560.0 ave      227560 max      227560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227560
Ave neighs/atom = 28.445000
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.937009717788, Press = -1.46523500105946
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -36350.137   -36350.137   -36689.586   -36689.586    328.30221    328.30221    159768.42    159768.42    286.25962    286.25962 
   30000   -36340.647   -36340.647   -36685.069   -36685.069    333.11194    333.11194    159653.04    159653.04    819.42042    819.42042 
Loop time of 52.0435 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.660 ns/day, 14.457 hours/ns, 19.215 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.227     | 51.227     | 51.227     |   0.0 | 98.43
Neigh   | 0.14981    | 0.14981    | 0.14981    |   0.0 |  0.29
Comm    | 0.047729   | 0.047729   | 0.047729   |   0.0 |  0.09
Output  | 9.7831e-05 | 9.7831e-05 | 9.7831e-05 |   0.0 |  0.00
Modify  | 0.55713    | 0.55713    | 0.55713    |   0.0 |  1.07
Other   |            | 0.06153    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5063.00 ave        5063 max        5063 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:      227630.0 ave      227630 max      227630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227630
Ave neighs/atom = 28.453750
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.910731711606, Press = -1.93864407240724
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -36340.647   -36340.647   -36685.069   -36685.069    333.11194    333.11194    159653.04    159653.04    819.42042    819.42042 
   31000   -36347.186   -36347.186   -36690.424   -36690.424    331.96768    331.96768       159755       159755    245.47114    245.47114 
Loop time of 52.0759 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.659 ns/day, 14.466 hours/ns, 19.203 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.259     | 51.259     | 51.259     |   0.0 | 98.43
Neigh   | 0.15058    | 0.15058    | 0.15058    |   0.0 |  0.29
Comm    | 0.048003   | 0.048003   | 0.048003   |   0.0 |  0.09
Output  | 0.00011356 | 0.00011356 | 0.00011356 |   0.0 |  0.00
Modify  | 0.55703    | 0.55703    | 0.55703    |   0.0 |  1.07
Other   |            | 0.06158    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5062.00 ave        5062 max        5062 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:      227412.0 ave      227412 max      227412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227412
Ave neighs/atom = 28.426500
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.879305673953, Press = -1.58040090025468
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -36347.186   -36347.186   -36690.424   -36690.424    331.96768    331.96768       159755       159755    245.47114    245.47114 
   32000   -36347.322   -36347.322   -36684.122   -36684.122       325.74       325.74     159754.5     159754.5    247.03518    247.03518 
Loop time of 51.9713 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.662 ns/day, 14.436 hours/ns, 19.241 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.232     | 51.232     | 51.232     |   0.0 | 98.58
Neigh   | 0.075167   | 0.075167   | 0.075167   |   0.0 |  0.14
Comm    | 0.04701    | 0.04701    | 0.04701    |   0.0 |  0.09
Output  | 9.863e-05  | 9.863e-05  | 9.863e-05  |   0.0 |  0.00
Modify  | 0.55528    | 0.55528    | 0.55528    |   0.0 |  1.07
Other   |            | 0.06188    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5079.00 ave        5079 max        5079 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:      227548.0 ave      227548 max      227548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227548
Ave neighs/atom = 28.443500
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.891136998544, Press = -2.06198817641591
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -36347.322   -36347.322   -36684.122   -36684.122       325.74       325.74     159754.5     159754.5    247.03518    247.03518 
   33000   -36341.128   -36341.128   -36685.996   -36685.996    333.54335    333.54335    159635.63    159635.63      1031.55      1031.55 
Loop time of 52.0518 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.660 ns/day, 14.459 hours/ns, 19.212 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.199     | 51.199     | 51.199     |   0.0 | 98.36
Neigh   | 0.18731    | 0.18731    | 0.18731    |   0.0 |  0.36
Comm    | 0.048101   | 0.048101   | 0.048101   |   0.0 |  0.09
Output  | 9.0171e-05 | 9.0171e-05 | 9.0171e-05 |   0.0 |  0.00
Modify  | 0.55614    | 0.55614    | 0.55614    |   0.0 |  1.07
Other   |            | 0.06114    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5060.00 ave        5060 max        5060 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:      227410.0 ave      227410 max      227410 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227410
Ave neighs/atom = 28.426250
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.86306342754, Press = -1.93479945645343
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -36341.128   -36341.128   -36685.996   -36685.996    333.54335    333.54335    159635.63    159635.63      1031.55      1031.55 
   34000   -36345.837   -36345.837   -36689.041   -36689.041     331.9345     331.9345    159700.75    159700.75    924.33231    924.33231 
Loop time of 52.086 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.659 ns/day, 14.468 hours/ns, 19.199 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.195     | 51.195     | 51.195     |   0.0 | 98.29
Neigh   | 0.22518    | 0.22518    | 0.22518    |   0.0 |  0.43
Comm    | 0.048736   | 0.048736   | 0.048736   |   0.0 |  0.09
Output  | 0.00011924 | 0.00011924 | 0.00011924 |   0.0 |  0.00
Modify  | 0.55639    | 0.55639    | 0.55639    |   0.0 |  1.07
Other   |            | 0.06098    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5066.00 ave        5066 max        5066 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:      227444.0 ave      227444 max      227444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227444
Ave neighs/atom = 28.430500
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.865540004899, Press = -0.661176919053749
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -36345.837   -36345.837   -36689.041   -36689.041     331.9345     331.9345    159700.75    159700.75    924.33231    924.33231 
   35000   -36340.593   -36340.593   -36685.591   -36685.591    333.67002    333.67002    159740.98    159740.98    277.81333    277.81333 
Loop time of 52.0095 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.661 ns/day, 14.447 hours/ns, 19.227 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.193     | 51.193     | 51.193     |   0.0 | 98.43
Neigh   | 0.15019    | 0.15019    | 0.15019    |   0.0 |  0.29
Comm    | 0.048001   | 0.048001   | 0.048001   |   0.0 |  0.09
Output  | 0.00011953 | 0.00011953 | 0.00011953 |   0.0 |  0.00
Modify  | 0.55643    | 0.55643    | 0.55643    |   0.0 |  1.07
Other   |            | 0.06158    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5050.00 ave        5050 max        5050 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:      227334.0 ave      227334 max      227334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227334
Ave neighs/atom = 28.416750
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.86206441488, Press = -0.704229993459854
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -36340.593   -36340.593   -36685.591   -36685.591    333.67002    333.67002    159740.98    159740.98    277.81333    277.81333 
   36000   -36347.556   -36347.556   -36688.197   -36688.197    329.45554    329.45554    159831.17    159831.17   -124.17087   -124.17087 
Loop time of 51.9863 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.662 ns/day, 14.441 hours/ns, 19.236 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.208     | 51.208     | 51.208     |   0.0 | 98.50
Neigh   | 0.11253    | 0.11253    | 0.11253    |   0.0 |  0.22
Comm    | 0.047842   | 0.047842   | 0.047842   |   0.0 |  0.09
Output  | 0.00011854 | 0.00011854 | 0.00011854 |   0.0 |  0.00
Modify  | 0.5564     | 0.5564     | 0.5564     |   0.0 |  1.07
Other   |            | 0.06189    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5047.00 ave        5047 max        5047 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:      227388.0 ave      227388 max      227388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227388
Ave neighs/atom = 28.423500
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.85952642474, Press = -1.20072017435694
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -36347.556   -36347.556   -36688.197   -36688.197    329.45554    329.45554    159831.17    159831.17   -124.17087   -124.17087 
   37000   -36344.933   -36344.933   -36688.045   -36688.045    331.84523    331.84523    159691.08    159691.08    757.20128    757.20128 
Loop time of 52.1023 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.658 ns/day, 14.473 hours/ns, 19.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.211     | 51.211     | 51.211     |   0.0 | 98.29
Neigh   | 0.22479    | 0.22479    | 0.22479    |   0.0 |  0.43
Comm    | 0.048695   | 0.048695   | 0.048695   |   0.0 |  0.09
Output  | 0.00011566 | 0.00011566 | 0.00011566 |   0.0 |  0.00
Modify  | 0.55651    | 0.55651    | 0.55651    |   0.0 |  1.07
Other   |            | 0.06121    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5053.00 ave        5053 max        5053 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:      227564.0 ave      227564 max      227564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227564
Ave neighs/atom = 28.445500
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.859124055598, Press = -0.383934872322421
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -36344.933   -36344.933   -36688.045   -36688.045    331.84523    331.84523    159691.08    159691.08    757.20128    757.20128 
   38000    -36336.82    -36336.82   -36680.314   -36680.314    332.21484    332.21484    159909.65    159909.65    -613.2099    -613.2099 
Loop time of 51.9882 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.662 ns/day, 14.441 hours/ns, 19.235 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.209     | 51.209     | 51.209     |   0.0 | 98.50
Neigh   | 0.11258    | 0.11258    | 0.11258    |   0.0 |  0.22
Comm    | 0.047716   | 0.047716   | 0.047716   |   0.0 |  0.09
Output  | 0.00012041 | 0.00012041 | 0.00012041 |   0.0 |  0.00
Modify  | 0.55667    | 0.55667    | 0.55667    |   0.0 |  1.07
Other   |            | 0.06198    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5061.00 ave        5061 max        5061 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:      227520.0 ave      227520 max      227520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227520
Ave neighs/atom = 28.440000
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.832853311727, Press = -0.876881736234044
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000    -36336.82    -36336.82   -36680.314   -36680.314    332.21484    332.21484    159909.65    159909.65    -613.2099    -613.2099 
   39000   -36336.688   -36336.688   -36678.725   -36678.725    330.80586    330.80586    159791.61    159791.61    91.480868    91.480868 
Loop time of 51.9538 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.663 ns/day, 14.432 hours/ns, 19.248 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.176     | 51.176     | 51.176     |   0.0 | 98.50
Neigh   | 0.11255    | 0.11255    | 0.11255    |   0.0 |  0.22
Comm    | 0.046878   | 0.046878   | 0.046878   |   0.0 |  0.09
Output  | 0.00011164 | 0.00011164 | 0.00011164 |   0.0 |  0.00
Modify  | 0.556      | 0.556      | 0.556      |   0.0 |  1.07
Other   |            | 0.06189    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5074.00 ave        5074 max        5074 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:      227384.0 ave      227384 max      227384 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227384
Ave neighs/atom = 28.423000
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.840860529709, Press = -1.41862924026672
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -36336.688   -36336.688   -36678.725   -36678.725    330.80586    330.80586    159791.61    159791.61    91.480868    91.480868 
   40000    -36342.84    -36342.84   -36688.445   -36688.445    334.25643    334.25643    159878.96    159878.96   -68.273062   -68.273062 
Loop time of 51.9993 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.662 ns/day, 14.444 hours/ns, 19.231 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.183     | 51.183     | 51.183     |   0.0 | 98.43
Neigh   | 0.14994    | 0.14994    | 0.14994    |   0.0 |  0.29
Comm    | 0.048079   | 0.048079   | 0.048079   |   0.0 |  0.09
Output  | 9.149e-05  | 9.149e-05  | 9.149e-05  |   0.0 |  0.00
Modify  | 0.55647    | 0.55647    | 0.55647    |   0.0 |  1.07
Other   |            | 0.06162    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5069.00 ave        5069 max        5069 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:      227570.0 ave      227570 max      227570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227570
Ave neighs/atom = 28.446250
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.896090258503, Press = -1.12581587128228
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000    -36342.84    -36342.84   -36688.445   -36688.445    334.25643    334.25643    159878.96    159878.96   -68.273062   -68.273062 
   41000   -36338.166   -36338.166   -36683.842   -36683.842    334.32528    334.32528    159879.12    159879.12   -403.49712   -403.49712 
Loop time of 52.0895 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.659 ns/day, 14.469 hours/ns, 19.198 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.199     | 51.199     | 51.199     |   0.0 | 98.29
Neigh   | 0.22465    | 0.22465    | 0.22465    |   0.0 |  0.43
Comm    | 0.048721   | 0.048721   | 0.048721   |   0.0 |  0.09
Output  | 9.0755e-05 | 9.0755e-05 | 9.0755e-05 |   0.0 |  0.00
Modify  | 0.55634    | 0.55634    | 0.55634    |   0.0 |  1.07
Other   |            | 0.06113    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5062.00 ave        5062 max        5062 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:      227594.0 ave      227594 max      227594 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227594
Ave neighs/atom = 28.449250
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882446576637, Press = -0.821044761717851
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -36338.166   -36338.166   -36683.842   -36683.842    334.32528    334.32528    159879.12    159879.12   -403.49712   -403.49712 
   42000   -36331.363   -36331.363   -36682.722   -36682.722    339.82096    339.82096    159901.61    159901.61   -292.45953   -292.45953 
Loop time of 51.9962 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.662 ns/day, 14.443 hours/ns, 19.232 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.217     | 51.217     | 51.217     |   0.0 | 98.50
Neigh   | 0.11305    | 0.11305    | 0.11305    |   0.0 |  0.22
Comm    | 0.047533   | 0.047533   | 0.047533   |   0.0 |  0.09
Output  | 0.00011517 | 0.00011517 | 0.00011517 |   0.0 |  0.00
Modify  | 0.55655    | 0.55655    | 0.55655    |   0.0 |  1.07
Other   |            | 0.06191    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5051.00 ave        5051 max        5051 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:      227458.0 ave      227458 max      227458 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227458
Ave neighs/atom = 28.432250
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.899218284035, Press = -0.391740484180102
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -36331.363   -36331.363   -36682.722   -36682.722    339.82096    339.82096    159901.61    159901.61   -292.45953   -292.45953 
   43000   -36344.256   -36344.256    -36688.52    -36688.52    332.95938    332.95938       159824       159824    129.03453    129.03453 
Loop time of 51.9348 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.664 ns/day, 14.426 hours/ns, 19.255 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.193     | 51.193     | 51.193     |   0.0 | 98.57
Neigh   | 0.075259   | 0.075259   | 0.075259   |   0.0 |  0.14
Comm    | 0.047625   | 0.047625   | 0.047625   |   0.0 |  0.09
Output  | 0.00011873 | 0.00011873 | 0.00011873 |   0.0 |  0.00
Modify  | 0.5566     | 0.5566     | 0.5566     |   0.0 |  1.07
Other   |            | 0.06229    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5052.00 ave        5052 max        5052 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:      227352.0 ave      227352 max      227352 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227352
Ave neighs/atom = 28.419000
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.914049533984, Press = -1.02198341312892
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -36344.256   -36344.256    -36688.52    -36688.52    332.95938    332.95938       159824       159824    129.03453    129.03453 
   44000    -36335.98    -36335.98   -36680.184   -36680.184    332.90138    332.90138    159832.55    159832.55   -42.648502   -42.648502 
Loop time of 51.9749 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.662 ns/day, 14.437 hours/ns, 19.240 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.196     | 51.196     | 51.196     |   0.0 | 98.50
Neigh   | 0.11251    | 0.11251    | 0.11251    |   0.0 |  0.22
Comm    | 0.047747   | 0.047747   | 0.047747   |   0.0 |  0.09
Output  | 0.00011784 | 0.00011784 | 0.00011784 |   0.0 |  0.00
Modify  | 0.55672    | 0.55672    | 0.55672    |   0.0 |  1.07
Other   |            | 0.06214    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5042.00 ave        5042 max        5042 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:      227326.0 ave      227326 max      227326 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227326
Ave neighs/atom = 28.415750
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.94625129525, Press = -1.02712530502182
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000    -36335.98    -36335.98   -36680.184   -36680.184    332.90138    332.90138    159832.55    159832.55   -42.648502   -42.648502 
   45000   -36341.625   -36341.625   -36685.256   -36685.256    332.34628    332.34628    160072.89    160072.89   -1274.4198   -1274.4198 
Loop time of 51.8302 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.397 hours/ns, 19.294 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.165     | 51.165     | 51.165     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044966   | 0.044966   | 0.044966   |   0.0 |  0.09
Output  | 0.00011574 | 0.00011574 | 0.00011574 |   0.0 |  0.00
Modify  | 0.55709    | 0.55709    | 0.55709    |   0.0 |  1.07
Other   |            | 0.06272    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5043.00 ave        5043 max        5043 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:      227544.0 ave      227544 max      227544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227544
Ave neighs/atom = 28.443000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.976339015479, Press = -0.927713870518108
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -36341.625   -36341.625   -36685.256   -36685.256    332.34628    332.34628    160072.89    160072.89   -1274.4198   -1274.4198 
   46000    -36335.77    -36335.77   -36685.356   -36685.356    338.10719    338.10719    159888.19    159888.19   -407.03922   -407.03922 
Loop time of 51.8439 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.401 hours/ns, 19.289 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.179     | 51.179     | 51.179     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045069   | 0.045069   | 0.045069   |   0.0 |  0.09
Output  | 9.7928e-05 | 9.7928e-05 | 9.7928e-05 |   0.0 |  0.00
Modify  | 0.55689    | 0.55689    | 0.55689    |   0.0 |  1.07
Other   |            | 0.06258    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5049.00 ave        5049 max        5049 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:      227304.0 ave      227304 max      227304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227304
Ave neighs/atom = 28.413000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.99644915541, Press = -1.39989523021806
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000    -36335.77    -36335.77   -36685.356   -36685.356    338.10719    338.10719    159888.19    159888.19   -407.03922   -407.03922 
   47000   -36349.605   -36349.605   -36694.029   -36694.029    333.11408    333.11408    159955.36    159955.36   -651.67921   -651.67921 
Loop time of 52.1144 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.658 ns/day, 14.476 hours/ns, 19.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.226     | 51.226     | 51.226     |   0.0 | 98.30
Neigh   | 0.2246     | 0.2246     | 0.2246     |   0.0 |  0.43
Comm    | 0.048396   | 0.048396   | 0.048396   |   0.0 |  0.09
Output  | 9.9279e-05 | 9.9279e-05 | 9.9279e-05 |   0.0 |  0.00
Modify  | 0.55428    | 0.55428    | 0.55428    |   0.0 |  1.06
Other   |            | 0.06076    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5065.00 ave        5065 max        5065 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:      227474.0 ave      227474 max      227474 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227474
Ave neighs/atom = 28.434250
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.991830510847, Press = -1.10944614484874
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -36349.605   -36349.605   -36694.029   -36694.029    333.11408    333.11408    159955.36    159955.36   -651.67921   -651.67921 
   48000   -36340.958   -36340.958   -36685.343   -36685.343    333.07666    333.07666    159820.72    159820.72    72.660535    72.660535 
Loop time of 51.8169 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.394 hours/ns, 19.299 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.152     | 51.152     | 51.152     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045562   | 0.045562   | 0.045562   |   0.0 |  0.09
Output  | 0.00010313 | 0.00010313 | 0.00010313 |   0.0 |  0.00
Modify  | 0.55648    | 0.55648    | 0.55648    |   0.0 |  1.07
Other   |            | 0.0625     |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5059.00 ave        5059 max        5059 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:      227392.0 ave      227392 max      227392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227392
Ave neighs/atom = 28.424000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.969673913303, Press = -1.11574850334596
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -36340.958   -36340.958   -36685.343   -36685.343    333.07666    333.07666    159820.72    159820.72    72.660535    72.660535 
   49000   -36341.771   -36341.771   -36684.093   -36684.093    331.08155    331.08155    159814.05    159814.05   -7.3857957   -7.3857957 
Loop time of 52.0294 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.661 ns/day, 14.453 hours/ns, 19.220 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.213     | 51.213     | 51.213     |   0.0 | 98.43
Neigh   | 0.15005    | 0.15005    | 0.15005    |   0.0 |  0.29
Comm    | 0.048061   | 0.048061   | 0.048061   |   0.0 |  0.09
Output  | 7.7042e-05 | 7.7042e-05 | 7.7042e-05 |   0.0 |  0.00
Modify  | 0.55638    | 0.55638    | 0.55638    |   0.0 |  1.07
Other   |            | 0.06148    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5074.00 ave        5074 max        5074 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:      227446.0 ave      227446 max      227446 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227446
Ave neighs/atom = 28.430750
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.995892122944, Press = -1.41828713109087
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -36341.771   -36341.771   -36684.093   -36684.093    331.08155    331.08155    159814.05    159814.05   -7.3857957   -7.3857957 
   50000    -36332.09    -36332.09   -36679.241   -36679.241    335.75153    335.75153    159799.52    159799.52    78.961954    78.961954 
Loop time of 52.0608 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.660 ns/day, 14.461 hours/ns, 19.208 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.207     | 51.207     | 51.207     |   0.0 | 98.36
Neigh   | 0.18749    | 0.18749    | 0.18749    |   0.0 |  0.36
Comm    | 0.048291   | 0.048291   | 0.048291   |   0.0 |  0.09
Output  | 9.662e-05  | 9.662e-05  | 9.662e-05  |   0.0 |  0.00
Modify  | 0.55654    | 0.55654    | 0.55654    |   0.0 |  1.07
Other   |            | 0.06119    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5055.00 ave        5055 max        5055 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:      227352.0 ave      227352 max      227352 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227352
Ave neighs/atom = 28.419000
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.014546798693, Press = -0.868701803140102
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000    -36332.09    -36332.09   -36679.241   -36679.241    335.75153    335.75153    159799.52    159799.52    78.961954    78.961954 
   51000   -36341.593   -36341.593   -36685.953   -36685.953    333.05176    333.05176    159778.02    159778.02      494.395      494.395 
Loop time of 51.9929 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.662 ns/day, 14.442 hours/ns, 19.233 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    | 51.214     | 51.214     | 51.214     |   0.0 | 98.50
Neigh   | 0.1127     | 0.1127     | 0.1127     |   0.0 |  0.22
Comm    | 0.047866   | 0.047866   | 0.047866   |   0.0 |  0.09
Output  | 9.7405e-05 | 9.7405e-05 | 9.7405e-05 |   0.0 |  0.00
Modify  | 0.55667    | 0.55667    | 0.55667    |   0.0 |  1.07
Other   |            | 0.06193    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5057.00 ave        5057 max        5057 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:      227522.0 ave      227522 max      227522 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227522
Ave neighs/atom = 28.440250
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.052983198773, Press = -0.711967037397522
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -36341.593   -36341.593   -36685.953   -36685.953    333.05176    333.05176    159778.02    159778.02      494.395      494.395 
   52000   -36335.026   -36335.026   -36680.141   -36680.141     333.7822     333.7822    160017.74    160017.74    -1260.848    -1260.848 
Loop time of 51.9264 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.664 ns/day, 14.424 hours/ns, 19.258 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.222     | 51.222     | 51.222     |   0.0 | 98.64
Neigh   | 0.037646   | 0.037646   | 0.037646   |   0.0 |  0.07
Comm    | 0.047118   | 0.047118   | 0.047118   |   0.0 |  0.09
Output  | 0.00010276 | 0.00010276 | 0.00010276 |   0.0 |  0.00
Modify  | 0.5567     | 0.5567     | 0.5567     |   0.0 |  1.07
Other   |            | 0.06249    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5059.00 ave        5059 max        5059 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:      227578.0 ave      227578 max      227578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227578
Ave neighs/atom = 28.447250
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.078314422938, Press = -0.913747475029578
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -36335.026   -36335.026   -36680.141   -36680.141     333.7822     333.7822    160017.74    160017.74    -1260.848    -1260.848 
   53000   -36346.783   -36346.783   -36690.376   -36690.376    332.31051    332.31051    159799.77    159799.77    12.248197    12.248197 
Loop time of 51.9928 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.662 ns/day, 14.442 hours/ns, 19.233 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    | 51.213     | 51.213     | 51.213     |   0.0 | 98.50
Neigh   | 0.11265    | 0.11265    | 0.11265    |   0.0 |  0.22
Comm    | 0.048173   | 0.048173   | 0.048173   |   0.0 |  0.09
Output  | 9.7441e-05 | 9.7441e-05 | 9.7441e-05 |   0.0 |  0.00
Modify  | 0.55712    | 0.55712    | 0.55712    |   0.0 |  1.07
Other   |            | 0.06191    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5079.00 ave        5079 max        5079 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:      227674.0 ave      227674 max      227674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227674
Ave neighs/atom = 28.459250
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.09346056733, Press = -1.45657264274331
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -36346.783   -36346.783   -36690.376   -36690.376    332.31051    332.31051    159799.77    159799.77    12.248197    12.248197 
   54000   -36334.417   -36334.417   -36683.544   -36683.544    337.66344    337.66344    159870.59    159870.59   -155.30436   -155.30436 
Loop time of 52.0285 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.661 ns/day, 14.452 hours/ns, 19.220 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.213     | 51.213     | 51.213     |   0.0 | 98.43
Neigh   | 0.15016    | 0.15016    | 0.15016    |   0.0 |  0.29
Comm    | 0.047956   | 0.047956   | 0.047956   |   0.0 |  0.09
Output  | 9.8238e-05 | 9.8238e-05 | 9.8238e-05 |   0.0 |  0.00
Modify  | 0.55564    | 0.55564    | 0.55564    |   0.0 |  1.07
Other   |            | 0.06162    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5063.00 ave        5063 max        5063 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:      227448.0 ave      227448 max      227448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227448
Ave neighs/atom = 28.431000
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.11224188884, Press = -1.18916876520389
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -36334.417   -36334.417   -36683.544   -36683.544    337.66344    337.66344    159870.59    159870.59   -155.30436   -155.30436 
   55000    -36340.49    -36340.49   -36688.076   -36688.076    336.17245    336.17245    159833.61    159833.61   -73.381807   -73.381807 
Loop time of 51.9083 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.664 ns/day, 14.419 hours/ns, 19.265 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.168     | 51.168     | 51.168     |   0.0 | 98.57
Neigh   | 0.075224   | 0.075224   | 0.075224   |   0.0 |  0.14
Comm    | 0.046539   | 0.046539   | 0.046539   |   0.0 |  0.09
Output  | 0.00011279 | 0.00011279 | 0.00011279 |   0.0 |  0.00
Modify  | 0.5565     | 0.5565     | 0.5565     |   0.0 |  1.07
Other   |            | 0.06223    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5067.00 ave        5067 max        5067 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:      227496.0 ave      227496 max      227496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227496
Ave neighs/atom = 28.437000
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.12166190324, Press = -0.598772421099037
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000    -36340.49    -36340.49   -36688.076   -36688.076    336.17245    336.17245    159833.61    159833.61   -73.381807   -73.381807 
   56000   -36354.628   -36354.628   -36697.025   -36697.025    331.15363    331.15363     159734.4     159734.4     453.1499     453.1499 
Loop time of 51.8088 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.668 ns/day, 14.391 hours/ns, 19.302 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.145     | 51.145     | 51.145     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044935   | 0.044935   | 0.044935   |   0.0 |  0.09
Output  | 8.2925e-05 | 8.2925e-05 | 8.2925e-05 |   0.0 |  0.00
Modify  | 0.55655    | 0.55655    | 0.55655    |   0.0 |  1.07
Other   |            | 0.0625     |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5050.00 ave        5050 max        5050 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:      227466.0 ave      227466 max      227466 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227466
Ave neighs/atom = 28.433250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.108757064336, Press = -0.982459911549977
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -36354.628   -36354.628   -36697.025   -36697.025    331.15363    331.15363     159734.4     159734.4     453.1499     453.1499 
   57000   -36339.507   -36339.507   -36684.184   -36684.184    333.35949    333.35949    159928.32    159928.32   -708.31417   -708.31417 
Loop time of 52.0135 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.661 ns/day, 14.448 hours/ns, 19.226 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.234     | 51.234     | 51.234     |   0.0 | 98.50
Neigh   | 0.11269    | 0.11269    | 0.11269    |   0.0 |  0.22
Comm    | 0.04785    | 0.04785    | 0.04785    |   0.0 |  0.09
Output  | 0.00010302 | 0.00010302 | 0.00010302 |   0.0 |  0.00
Modify  | 0.55666    | 0.55666    | 0.55666    |   0.0 |  1.07
Other   |            | 0.06188    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5051.00 ave        5051 max        5051 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:      227404.0 ave      227404 max      227404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227404
Ave neighs/atom = 28.425500
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.090650072822, Press = -0.822372533685639
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -36339.507   -36339.507   -36684.184   -36684.184    333.35949    333.35949    159928.32    159928.32   -708.31417   -708.31417 
   58000   -36341.352   -36341.352   -36686.989   -36686.989    334.28753    334.28753    159796.71    159796.71     85.09033     85.09033 
Loop time of 51.8544 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.666 ns/day, 14.404 hours/ns, 19.285 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.152     | 51.152     | 51.152     |   0.0 | 98.64
Neigh   | 0.037837   | 0.037837   | 0.037837   |   0.0 |  0.07
Comm    | 0.045723   | 0.045723   | 0.045723   |   0.0 |  0.09
Output  | 0.00010129 | 0.00010129 | 0.00010129 |   0.0 |  0.00
Modify  | 0.55658    | 0.55658    | 0.55658    |   0.0 |  1.07
Other   |            | 0.0624     |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5048.00 ave        5048 max        5048 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:      227528.0 ave      227528 max      227528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227528
Ave neighs/atom = 28.441000
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
159828.804746503

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0