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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.565719366073609*${_u_distance}
variable latticeconst_converted equal 3.565719366073609*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.56571936607361
Lattice spacing in x,y,z = 3.5657194 3.5657194 3.5657194
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.657194 35.657194 35.657194)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.657194 35.657194 35.657194)
  create_atoms CPU = 0.009 seconds

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

kim_interactions C

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

kim interactions C
#=== BEGIN kim interactions ==================================
pair_style kim Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
pair_coeff * * C
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 12.0107

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 45335.8204157622    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8204157622/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8204157622/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8204157622/(1*1*${_u_distance})
variable      V0_metal equal 45335.8204157622/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 45335.8204157622*1000

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

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

variable temp_converted equal 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_903987585848_005#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58641.098   -58641.098   -58985.559   -58985.559       333.15       333.15     45335.82     45335.82    8115.4768    8115.4768 
    1000   -58263.952   -58263.952   -58613.176   -58613.176    337.75691    337.75691     45636.53     45636.53   -3532.6067   -3532.6067 
Loop time of 241.672 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.131 hours/ns, 4.138 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.99     | 239.99     | 239.99     |   0.0 | 99.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23762    | 0.23762    | 0.23762    |   0.0 |  0.10
Output  | 0.00026668 | 0.00026668 | 0.00026668 |   0.0 |  0.00
Modify  | 1.2798     | 1.2798     | 1.2798     |   0.0 |  0.53
Other   |            | 0.1648     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688000.0 ave      688000 max      688000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688000
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -58263.952   -58263.952   -58613.176   -58613.176    337.75691    337.75691     45636.53     45636.53   -3532.6067   -3532.6067 
    2000   -58299.529   -58299.529   -58632.066   -58632.066    321.61779    321.61779    45567.528    45567.528     1752.311     1752.311 
Loop time of 276.122 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.313 ns/day, 76.701 hours/ns, 3.622 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 274.13     | 274.13     | 274.13     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26514    | 0.26514    | 0.26514    |   0.0 |  0.10
Output  | 0.00026022 | 0.00026022 | 0.00026022 |   0.0 |  0.00
Modify  | 1.5441     | 1.5441     | 1.5441     |   0.0 |  0.56
Other   |            | 0.184      |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688674.0 ave      688674 max      688674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688674
Ave neighs/atom = 86.084250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -58299.529   -58299.529   -58632.066   -58632.066    321.61779    321.61779    45567.528    45567.528     1752.311     1752.311 
    3000   -58284.754   -58284.754   -58640.096   -58640.096    343.67353    343.67353    45596.216    45596.216   -633.54795   -633.54795 
Loop time of 242.123 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.256 hours/ns, 4.130 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.44     | 240.44     | 240.44     |   0.0 | 99.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2407     | 0.2407     | 0.2407     |   0.0 |  0.10
Output  | 0.00026066 | 0.00026066 | 0.00026066 |   0.0 |  0.00
Modify  | 1.2833     | 1.2833     | 1.2833     |   0.0 |  0.53
Other   |            | 0.1621     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688714.0 ave      688714 max      688714 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688714
Ave neighs/atom = 86.089250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58284.754   -58284.754   -58640.096   -58640.096    343.67353    343.67353    45596.216    45596.216   -633.54795   -633.54795 
    4000   -58287.871   -58287.871   -58623.998   -58623.998    325.08911    325.08911    45589.712    45589.712    252.06284    252.06284 
Loop time of 253.821 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.340 ns/day, 70.506 hours/ns, 3.940 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 252.04     | 252.04     | 252.04     |   0.0 | 99.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24883    | 0.24883    | 0.24883    |   0.0 |  0.10
Output  | 0.0003097  | 0.0003097  | 0.0003097  |   0.0 |  0.00
Modify  | 1.3671     | 1.3671     | 1.3671     |   0.0 |  0.54
Other   |            | 0.1702     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688592.0 ave      688592 max      688592 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688592
Ave neighs/atom = 86.074000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -58287.871   -58287.871   -58623.998   -58623.998    325.08911    325.08911    45589.712    45589.712    252.06284    252.06284 
    5000   -58293.228   -58293.228   -58637.366   -58637.366    332.83708    332.83708    45572.534    45572.534    1340.7408    1340.7408 
Loop time of 242.93 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.356 ns/day, 67.480 hours/ns, 4.116 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.24     | 241.24     | 241.24     |   0.0 | 99.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24171    | 0.24171    | 0.24171    |   0.0 |  0.10
Output  | 0.00022681 | 0.00022681 | 0.00022681 |   0.0 |  0.00
Modify  | 1.2887     | 1.2887     | 1.2887     |   0.0 |  0.53
Other   |            | 0.1626     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688710.0 ave      688710 max      688710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688710
Ave neighs/atom = 86.088750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.831268865457, Press = 670.557152061465
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58293.228   -58293.228   -58637.366   -58637.366    332.83708    332.83708    45572.534    45572.534    1340.7408    1340.7408 
    6000   -58282.651   -58282.651   -58637.879   -58637.879    343.56326    343.56326    45630.012    45630.012   -3814.5937   -3814.5937 
Loop time of 241.314 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.032 hours/ns, 4.144 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.61     | 239.61     | 239.61     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23727    | 0.23727    | 0.23727    |   0.0 |  0.10
Output  | 0.00022317 | 0.00022317 | 0.00022317 |   0.0 |  0.00
Modify  | 1.3058     | 1.3058     | 1.3058     |   0.0 |  0.54
Other   |            | 0.1631     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688708.0 ave      688708 max      688708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688708
Ave neighs/atom = 86.088500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.727307349627, Press = -55.4242417962655
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -58282.651   -58282.651   -58637.879   -58637.879    343.56326    343.56326    45630.012    45630.012   -3814.5937   -3814.5937 
    7000   -58294.938   -58294.938   -58631.822   -58631.822      325.822      325.822    45540.971    45540.971     4163.528     4163.528 
Loop time of 241.718 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.144 hours/ns, 4.137 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240        | 240        | 240        |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23884    | 0.23884    | 0.23884    |   0.0 |  0.10
Output  | 0.00022247 | 0.00022247 | 0.00022247 |   0.0 |  0.00
Modify  | 1.3135     | 1.3135     | 1.3135     |   0.0 |  0.54
Other   |            | 0.164      |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688544.0 ave      688544 max      688544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688544
Ave neighs/atom = 86.068000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.974525557258, Press = 25.0114849948916
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -58294.938   -58294.938   -58631.822   -58631.822      325.822      325.822    45540.971    45540.971     4163.528     4163.528 
    8000    -58284.06    -58284.06   -58625.746   -58625.746    330.46528    330.46528    45608.107    45608.107   -1568.2478   -1568.2478 
Loop time of 241.768 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.158 hours/ns, 4.136 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.05     | 240.05     | 240.05     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23931    | 0.23931    | 0.23931    |   0.0 |  0.10
Output  | 0.00022509 | 0.00022509 | 0.00022509 |   0.0 |  0.00
Modify  | 1.312      | 1.312      | 1.312      |   0.0 |  0.54
Other   |            | 0.164      |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688808.0 ave      688808 max      688808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688808
Ave neighs/atom = 86.101000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.097008191621, Press = 5.11292448360884
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000    -58284.06    -58284.06   -58625.746   -58625.746    330.46528    330.46528    45608.107    45608.107   -1568.2478   -1568.2478 
    9000   -58290.902   -58290.902    -58632.96    -58632.96    330.82559    330.82559    45574.376    45574.376    1164.0984    1164.0984 
Loop time of 242.01 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.225 hours/ns, 4.132 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.3      | 240.3      | 240.3      |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23771    | 0.23771    | 0.23771    |   0.0 |  0.10
Output  | 0.00022366 | 0.00022366 | 0.00022366 |   0.0 |  0.00
Modify  | 1.3114     | 1.3114     | 1.3114     |   0.0 |  0.54
Other   |            | 0.163      |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688664.0 ave      688664 max      688664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688664
Ave neighs/atom = 86.083000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.01263891518, Press = 1.78153914261413
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -58290.902   -58290.902    -58632.96    -58632.96    330.82559    330.82559    45574.376    45574.376    1164.0984    1164.0984 
   10000   -58291.806   -58291.806   -58633.293   -58633.293    330.27389    330.27389    45601.719    45601.719   -1338.5756   -1338.5756 
Loop time of 242.143 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.262 hours/ns, 4.130 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.43     | 240.43     | 240.43     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23933    | 0.23933    | 0.23933    |   0.0 |  0.10
Output  | 0.00022843 | 0.00022843 | 0.00022843 |   0.0 |  0.00
Modify  | 1.3108     | 1.3108     | 1.3108     |   0.0 |  0.54
Other   |            | 0.1627     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688670.0 ave      688670 max      688670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688670
Ave neighs/atom = 86.083750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.120731058474, Press = 7.77530132862871
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -58291.806   -58291.806   -58633.293   -58633.293    330.27389    330.27389    45601.719    45601.719   -1338.5756   -1338.5756 
   11000   -58284.335   -58284.335   -58627.177   -58627.177    331.58329    331.58329    45578.981    45578.981    1107.9037    1107.9037 
Loop time of 242.375 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.356 ns/day, 67.326 hours/ns, 4.126 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.66     | 240.66     | 240.66     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23914    | 0.23914    | 0.23914    |   0.0 |  0.10
Output  | 0.00027468 | 0.00027468 | 0.00027468 |   0.0 |  0.00
Modify  | 1.3088     | 1.3088     | 1.3088     |   0.0 |  0.54
Other   |            | 0.1623     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688628.0 ave      688628 max      688628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688628
Ave neighs/atom = 86.078500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.985272808551, Press = -8.7163826556553
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58284.335   -58284.335   -58627.177   -58627.177    331.58329    331.58329    45578.981    45578.981    1107.9037    1107.9037 
   12000   -58294.258   -58294.258   -58634.372   -58634.372    328.94602    328.94602    45586.528    45586.528   -109.34001   -109.34001 
Loop time of 241.989 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.219 hours/ns, 4.132 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.28     | 240.28     | 240.28     |   0.0 | 99.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23756    | 0.23756    | 0.23756    |   0.0 |  0.10
Output  | 0.00022337 | 0.00022337 | 0.00022337 |   0.0 |  0.00
Modify  | 1.3065     | 1.3065     | 1.3065     |   0.0 |  0.54
Other   |            | 0.1612     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688734.0 ave      688734 max      688734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688734
Ave neighs/atom = 86.091750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.95006882457, Press = 18.44023881896
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -58294.258   -58294.258   -58634.372   -58634.372    328.94602    328.94602    45586.528    45586.528   -109.34001   -109.34001 
   13000   -58286.208   -58286.208   -58635.207   -58635.207    337.53832    337.53832      45604.1      45604.1   -1696.5929   -1696.5929 
Loop time of 242.034 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.232 hours/ns, 4.132 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.32     | 240.32     | 240.32     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24026    | 0.24026    | 0.24026    |   0.0 |  0.10
Output  | 0.00027424 | 0.00027424 | 0.00027424 |   0.0 |  0.00
Modify  | 1.3085     | 1.3085     | 1.3085     |   0.0 |  0.54
Other   |            | 0.161      |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688628.0 ave      688628 max      688628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688628
Ave neighs/atom = 86.078500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.81688952823, Press = -8.00284192645569
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -58286.208   -58286.208   -58635.207   -58635.207    337.53832    337.53832      45604.1      45604.1   -1696.5929   -1696.5929 
   14000   -58299.592   -58299.592   -58645.515   -58645.515    334.56394    334.56394    45578.342    45578.342    441.19021    441.19021 
Loop time of 242.075 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.243 hours/ns, 4.131 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.35     | 240.35     | 240.35     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23959    | 0.23959    | 0.23959    |   0.0 |  0.10
Output  | 0.00026917 | 0.00026917 | 0.00026917 |   0.0 |  0.00
Modify  | 1.318      | 1.318      | 1.318      |   0.0 |  0.54
Other   |            | 0.1635     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688592.0 ave      688592 max      688592 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688592
Ave neighs/atom = 86.074000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.79298843749, Press = 3.89776542261781
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58299.592   -58299.592   -58645.515   -58645.515    334.56394    334.56394    45578.342    45578.342    441.19021    441.19021 
   15000   -58285.906   -58285.906   -58635.258   -58635.258    337.88068    337.88068    45599.479    45599.479    -1087.511    -1087.511 
Loop time of 241.957 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.210 hours/ns, 4.133 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.2      | 240.2      | 240.2      |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25289    | 0.25289    | 0.25289    |   0.0 |  0.10
Output  | 0.00022448 | 0.00022448 | 0.00022448 |   0.0 |  0.00
Modify  | 1.338      | 1.338      | 1.338      |   0.0 |  0.55
Other   |            | 0.1655     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688678.0 ave      688678 max      688678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688678
Ave neighs/atom = 86.084750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.72442883255, Press = 0.170203690672132
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -58285.906   -58285.906   -58635.258   -58635.258    337.88068    337.88068    45599.479    45599.479    -1087.511    -1087.511 
   16000   -58288.989   -58288.989   -58630.035   -58630.035    329.84738    329.84738    45572.676    45572.676    1722.1753    1722.1753 
Loop time of 271.973 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.318 ns/day, 75.548 hours/ns, 3.677 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 269.98     | 269.98     | 269.98     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26453    | 0.26453    | 0.26453    |   0.0 |  0.10
Output  | 0.00022609 | 0.00022609 | 0.00022609 |   0.0 |  0.00
Modify  | 1.5511     | 1.5511     | 1.5511     |   0.0 |  0.57
Other   |            | 0.1813     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688660.0 ave      688660 max      688660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688660
Ave neighs/atom = 86.082500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.726836951504, Press = 1.46996620648089
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58288.989   -58288.989   -58630.035   -58630.035    329.84738    329.84738    45572.676    45572.676    1722.1753    1722.1753 
   17000   -58294.215   -58294.215   -58636.258   -58636.258    330.81157    330.81157    45619.172    45619.172   -2964.5173   -2964.5173 
Loop time of 246.926 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.350 ns/day, 68.591 hours/ns, 4.050 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 245.16     | 245.16     | 245.16     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2451     | 0.2451     | 0.2451     |   0.0 |  0.10
Output  | 0.00031048 | 0.00031048 | 0.00031048 |   0.0 |  0.00
Modify  | 1.3535     | 1.3535     | 1.3535     |   0.0 |  0.55
Other   |            | 0.1664     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688760.0 ave      688760 max      688760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688760
Ave neighs/atom = 86.095000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.744302585206, Press = 3.69418148018745
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -58294.215   -58294.215   -58636.258   -58636.258    330.81157    330.81157    45619.172    45619.172   -2964.5173   -2964.5173 
   18000   -58289.581   -58289.581   -58639.302   -58639.302    338.23784    338.23784     45565.73     45565.73    2027.1991    2027.1991 
Loop time of 281.889 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.307 ns/day, 78.302 hours/ns, 3.547 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 279.82     | 279.82     | 279.82     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26939    | 0.26939    | 0.26939    |   0.0 |  0.10
Output  | 0.00022343 | 0.00022343 | 0.00022343 |   0.0 |  0.00
Modify  | 1.6147     | 1.6147     | 1.6147     |   0.0 |  0.57
Other   |            | 0.185      |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688592.0 ave      688592 max      688592 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688592
Ave neighs/atom = 86.074000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.680771629005, Press = -5.06318806682525
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -58289.581   -58289.581   -58639.302   -58639.302    338.23784    338.23784     45565.73     45565.73    2027.1991    2027.1991 
   19000   -58290.409   -58290.409   -58633.899   -58633.899    332.21057    332.21057    45591.414    45591.414    -375.2699    -375.2699 
Loop time of 241.351 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.042 hours/ns, 4.143 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.64     | 239.64     | 239.64     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23975    | 0.23975    | 0.23975    |   0.0 |  0.10
Output  | 0.00026956 | 0.00026956 | 0.00026956 |   0.0 |  0.00
Modify  | 1.3079     | 1.3079     | 1.3079     |   0.0 |  0.54
Other   |            | 0.1651     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688588.0 ave      688588 max      688588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688588
Ave neighs/atom = 86.073500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.739088794918, Press = 6.23184049674387
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58290.409   -58290.409   -58633.899   -58633.899    332.21057    332.21057    45591.414    45591.414    -375.2699    -375.2699 
   20000   -58286.538   -58286.538   -58628.231   -58628.231    330.47321    330.47321     45598.28     45598.28   -827.57519   -827.57519 
Loop time of 242.517 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.356 ns/day, 67.366 hours/ns, 4.123 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.79     | 240.79     | 240.79     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2408     | 0.2408     | 0.2408     |   0.0 |  0.10
Output  | 0.00031619 | 0.00031619 | 0.00031619 |   0.0 |  0.00
Modify  | 1.323      | 1.323      | 1.323      |   0.0 |  0.55
Other   |            | 0.1654     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688676.0 ave      688676 max      688676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688676
Ave neighs/atom = 86.084500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.731733723131, Press = -3.14290378084157
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58286.538   -58286.538   -58628.231   -58628.231    330.47321    330.47321     45598.28     45598.28   -827.57519   -827.57519 
   21000   -58295.766   -58295.766   -58634.881   -58634.881    327.97968    327.97968     45573.29     45573.29    1273.0785    1273.0785 
Loop time of 286.809 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.301 ns/day, 79.669 hours/ns, 3.487 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 284.7      | 284.7      | 284.7      |   0.0 | 99.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27072    | 0.27072    | 0.27072    |   0.0 |  0.09
Output  | 0.00030751 | 0.00030751 | 0.00030751 |   0.0 |  0.00
Modify  | 1.6533     | 1.6533     | 1.6533     |   0.0 |  0.58
Other   |            | 0.1891     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688578.0 ave      688578 max      688578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688578
Ave neighs/atom = 86.072250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.659987386002, Press = 2.9057483267719
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -58295.766   -58295.766   -58634.881   -58634.881    327.97968    327.97968     45573.29     45573.29    1273.0785    1273.0785 
   22000   -58286.906   -58286.906   -58632.402   -58632.402    334.15154    334.15154     45595.41     45595.41   -654.58636   -654.58636 
Loop time of 254.028 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.340 ns/day, 70.563 hours/ns, 3.937 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 252.22     | 252.22     | 252.22     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24847    | 0.24847    | 0.24847    |   0.0 |  0.10
Output  | 0.00027308 | 0.00027308 | 0.00027308 |   0.0 |  0.00
Modify  | 1.3912     | 1.3912     | 1.3912     |   0.0 |  0.55
Other   |            | 0.1668     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688628.0 ave      688628 max      688628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688628
Ave neighs/atom = 86.078500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.627404687887, Press = 0.326155446477002
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -58286.906   -58286.906   -58632.402   -58632.402    334.15154    334.15154     45595.41     45595.41   -654.58636   -654.58636 
   23000   -58282.513   -58282.513   -58623.267   -58623.267     329.5644     329.5644    45587.667    45587.667    497.11589    497.11589 
Loop time of 242.051 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.236 hours/ns, 4.131 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.34     | 240.34     | 240.34     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2391     | 0.2391     | 0.2391     |   0.0 |  0.10
Output  | 0.0002267  | 0.0002267  | 0.0002267  |   0.0 |  0.00
Modify  | 1.309      | 1.309      | 1.309      |   0.0 |  0.54
Other   |            | 0.1606     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688646.0 ave      688646 max      688646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688646
Ave neighs/atom = 86.080750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.618862447352, Press = 0.92370890519347
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58282.513   -58282.513   -58623.267   -58623.267     329.5644     329.5644    45587.667    45587.667    497.11589    497.11589 
   24000   -58291.566   -58291.566   -58635.062   -58635.062     332.2166     332.2166    45594.848    45594.848   -773.13821   -773.13821 
Loop time of 242.175 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.271 hours/ns, 4.129 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.46     | 240.46     | 240.46     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23952    | 0.23952    | 0.23952    |   0.0 |  0.10
Output  | 0.00022596 | 0.00022596 | 0.00022596 |   0.0 |  0.00
Modify  | 1.3126     | 1.3126     | 1.3126     |   0.0 |  0.54
Other   |            | 0.1613     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688704.0 ave      688704 max      688704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688704
Ave neighs/atom = 86.088000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.694894573572, Press = 0.740093170352666
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58291.566   -58291.566   -58635.062   -58635.062     332.2166     332.2166    45594.848    45594.848   -773.13821   -773.13821 
   25000    -58286.45    -58286.45   -58634.444   -58634.444     336.5665     336.5665    45580.664    45580.664    775.30712    775.30712 
Loop time of 264.145 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.327 ns/day, 73.374 hours/ns, 3.786 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 262.24     | 262.24     | 262.24     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25638    | 0.25638    | 0.25638    |   0.0 |  0.10
Output  | 0.00022726 | 0.00022726 | 0.00022726 |   0.0 |  0.00
Modify  | 1.4779     | 1.4779     | 1.4779     |   0.0 |  0.56
Other   |            | 0.1743     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688584.0 ave      688584 max      688584 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688584
Ave neighs/atom = 86.073000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.797075598184, Press = -0.777286464356534
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000    -58286.45    -58286.45   -58634.444   -58634.444     336.5665     336.5665    45580.664    45580.664    775.30712    775.30712 
   26000   -58284.103   -58284.103   -58627.124   -58627.124    331.75697    331.75697    45595.301    45595.301    -531.2106    -531.2106 
Loop time of 286.764 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.301 ns/day, 79.657 hours/ns, 3.487 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 284.64     | 284.64     | 284.64     |   0.0 | 99.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27538    | 0.27538    | 0.27538    |   0.0 |  0.10
Output  | 0.00063169 | 0.00063169 | 0.00063169 |   0.0 |  0.00
Modify  | 1.6601     | 1.6601     | 1.6601     |   0.0 |  0.58
Other   |            | 0.1886     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688596.0 ave      688596 max      688596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688596
Ave neighs/atom = 86.074500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.837568537493, Press = 3.06010553186085
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58284.103   -58284.103   -58627.124   -58627.124    331.75697    331.75697    45595.301    45595.301    -531.2106    -531.2106 
   27000   -58295.129   -58295.129   -58636.174   -58636.174    329.84574    329.84574    45593.927    45593.927    -633.6056    -633.6056 
Loop time of 283.332 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.305 ns/day, 78.703 hours/ns, 3.529 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 281.24     | 281.24     | 281.24     |   0.0 | 99.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26904    | 0.26904    | 0.26904    |   0.0 |  0.09
Output  | 0.00022948 | 0.00022948 | 0.00022948 |   0.0 |  0.00
Modify  | 1.6364     | 1.6364     | 1.6364     |   0.0 |  0.58
Other   |            | 0.1877     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688658.0 ave      688658 max      688658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688658
Ave neighs/atom = 86.082250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.861439993249, Press = -3.1524162653048
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -58295.129   -58295.129   -58636.174   -58636.174    329.84574    329.84574    45593.927    45593.927    -633.6056    -633.6056 
   28000   -58288.195   -58288.195   -58631.988   -58631.988    332.50469    332.50469    45563.204    45563.204    2587.5499    2587.5499 
Loop time of 278.475 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.310 ns/day, 77.354 hours/ns, 3.591 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 276.41     | 276.41     | 276.41     |   0.0 | 99.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27059    | 0.27059    | 0.27059    |   0.0 |  0.10
Output  | 0.00022387 | 0.00022387 | 0.00022387 |   0.0 |  0.00
Modify  | 1.6136     | 1.6136     | 1.6136     |   0.0 |  0.58
Other   |            | 0.1848     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688560.0 ave      688560 max      688560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688560
Ave neighs/atom = 86.070000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.856513037619, Press = 4.07662521430899
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58288.195   -58288.195   -58631.988   -58631.988    332.50469    332.50469    45563.204    45563.204    2587.5499    2587.5499 
   29000   -58289.889   -58289.889   -58633.664   -58633.664    332.48734    332.48734    45626.162    45626.162   -3708.0957   -3708.0957 
Loop time of 241.902 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.195 hours/ns, 4.134 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.19     | 240.19     | 240.19     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23821    | 0.23821    | 0.23821    |   0.0 |  0.10
Output  | 0.00023104 | 0.00023104 | 0.00023104 |   0.0 |  0.00
Modify  | 1.3141     | 1.3141     | 1.3141     |   0.0 |  0.54
Other   |            | 0.1615     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688690.0 ave      688690 max      688690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688690
Ave neighs/atom = 86.086250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.798530844118, Press = -1.66050289592508
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -58289.889   -58289.889   -58633.664   -58633.664    332.48734    332.48734    45626.162    45626.162   -3708.0957   -3708.0957 
   30000   -58289.812   -58289.812   -58635.324   -58635.324    334.16657    334.16657    45569.715    45569.715    1767.8931    1767.8931 
Loop time of 242.506 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.356 ns/day, 67.363 hours/ns, 4.124 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.79     | 240.79     | 240.79     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23999    | 0.23999    | 0.23999    |   0.0 |  0.10
Output  | 0.00022897 | 0.00022897 | 0.00022897 |   0.0 |  0.00
Modify  | 1.3168     | 1.3168     | 1.3168     |   0.0 |  0.54
Other   |            | 0.1608     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688594.0 ave      688594 max      688594 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688594
Ave neighs/atom = 86.074250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.808052459252, Press = 0.426688915480927
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -58289.812   -58289.812   -58635.324   -58635.324    334.16657    334.16657    45569.715    45569.715    1767.8931    1767.8931 
   31000   -58283.201   -58283.201   -58631.085   -58631.085    336.46073    336.46073    45600.197    45600.197   -939.12521   -939.12521 
Loop time of 249.026 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.347 ns/day, 69.174 hours/ns, 4.016 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 247.26     | 247.26     | 247.26     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24461    | 0.24461    | 0.24461    |   0.0 |  0.10
Output  | 0.00021742 | 0.00021742 | 0.00021742 |   0.0 |  0.00
Modify  | 1.3569     | 1.3569     | 1.3569     |   0.0 |  0.54
Other   |            | 0.1645     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688660.0 ave      688660 max      688660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688660
Ave neighs/atom = 86.082500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.840416539996, Press = 0.783361273608197
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -58283.201   -58283.201   -58631.085   -58631.085    336.46073    336.46073    45600.197    45600.197   -939.12521   -939.12521 
   32000   -58288.499   -58288.499   -58632.767   -58632.767    332.96297    332.96297    45579.971    45579.971    903.31734    903.31734 
Loop time of 275.589 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.314 ns/day, 76.553 hours/ns, 3.629 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 273.56     | 273.56     | 273.56     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26576    | 0.26576    | 0.26576    |   0.0 |  0.10
Output  | 0.00022313 | 0.00022313 | 0.00022313 |   0.0 |  0.00
Modify  | 1.5778     | 1.5778     | 1.5778     |   0.0 |  0.57
Other   |            | 0.1816     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688590.0 ave      688590 max      688590 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688590
Ave neighs/atom = 86.073750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.870694368721, Press = -0.468298754019352
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -58288.499   -58288.499   -58632.767   -58632.767    332.96297    332.96297    45579.971    45579.971    903.31734    903.31734 
   33000   -58284.019   -58284.019    -58633.51    -58633.51    338.01483    338.01483    45600.619    45600.619   -1067.0218   -1067.0218 
Loop time of 255.003 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.339 ns/day, 70.834 hours/ns, 3.922 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 253.17     | 253.17     | 253.17     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25134    | 0.25134    | 0.25134    |   0.0 |  0.10
Output  | 0.00027595 | 0.00027595 | 0.00027595 |   0.0 |  0.00
Modify  | 1.4113     | 1.4113     | 1.4113     |   0.0 |  0.55
Other   |            | 0.1687     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688646.0 ave      688646 max      688646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688646
Ave neighs/atom = 86.080750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.936162437865, Press = 2.99927011559366
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -58284.019   -58284.019    -58633.51    -58633.51    338.01483    338.01483    45600.619    45600.619   -1067.0218   -1067.0218 
   34000   -58290.294   -58290.294   -58636.505   -58636.505    334.84219    334.84219    45596.259    45596.259   -987.01056   -987.01056 
Loop time of 284.989 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.303 ns/day, 79.164 hours/ns, 3.509 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 282.9      | 282.9      | 282.9      |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26922    | 0.26922    | 0.26922    |   0.0 |  0.09
Output  | 0.00027035 | 0.00027035 | 0.00027035 |   0.0 |  0.00
Modify  | 1.6312     | 1.6312     | 1.6312     |   0.0 |  0.57
Other   |            | 0.1864     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688548.0 ave      688548 max      688548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688548
Ave neighs/atom = 86.068500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.965052370041, Press = -3.76481617591508
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -58290.294   -58290.294   -58636.505   -58636.505    334.84219    334.84219    45596.259    45596.259   -987.01056   -987.01056 
   35000   -58295.279   -58295.279    -58634.66    -58634.66    328.23652    328.23652    45568.004    45568.004    1769.6595    1769.6595 
Loop time of 243.137 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.355 ns/day, 67.538 hours/ns, 4.113 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.42     | 241.42     | 241.42     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24023    | 0.24023    | 0.24023    |   0.0 |  0.10
Output  | 0.00022238 | 0.00022238 | 0.00022238 |   0.0 |  0.00
Modify  | 1.3157     | 1.3157     | 1.3157     |   0.0 |  0.54
Other   |            | 0.1608     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688610.0 ave      688610 max      688610 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688610
Ave neighs/atom = 86.076250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.989236827238, Press = 3.00282748799378
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58295.279   -58295.279    -58634.66    -58634.66    328.23652    328.23652    45568.004    45568.004    1769.6595    1769.6595 
   36000   -58284.407   -58284.407   -58632.602   -58632.602    336.76151    336.76151    45611.359    45611.359   -1942.2602   -1942.2602 
Loop time of 242.151 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.264 hours/ns, 4.130 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.44     | 240.44     | 240.44     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23991    | 0.23991    | 0.23991    |   0.0 |  0.10
Output  | 0.00022724 | 0.00022724 | 0.00022724 |   0.0 |  0.00
Modify  | 1.3113     | 1.3113     | 1.3113     |   0.0 |  0.54
Other   |            | 0.1612     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688594.0 ave      688594 max      688594 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688594
Ave neighs/atom = 86.074250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.002062491629, Press = -0.779549752677077
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58284.407   -58284.407   -58632.602   -58632.602    336.76151    336.76151    45611.359    45611.359   -1942.2602   -1942.2602 
   37000   -58286.203   -58286.203   -58630.819   -58630.819    333.29991    333.29991    45570.396    45570.396    1929.5809    1929.5809 
Loop time of 242.07 on 1 procs for 1000 steps with 8000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.36     | 240.36     | 240.36     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23917    | 0.23917    | 0.23917    |   0.0 |  0.10
Output  | 0.00022174 | 0.00022174 | 0.00022174 |   0.0 |  0.00
Modify  | 1.3119     | 1.3119     | 1.3119     |   0.0 |  0.54
Other   |            | 0.1604     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688596.0 ave      688596 max      688596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688596
Ave neighs/atom = 86.074500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.006196283019, Press = 0.807888625723768
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -58286.203   -58286.203   -58630.819   -58630.819    333.29991    333.29991    45570.396    45570.396    1929.5809    1929.5809 
   38000   -58288.434   -58288.434   -58634.611   -58634.611    334.80935    334.80935    45606.587    45606.587   -1682.0046   -1682.0046 
Loop time of 253.37 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.341 ns/day, 70.380 hours/ns, 3.947 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 251.55     | 251.55     | 251.55     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2486     | 0.2486     | 0.2486     |   0.0 |  0.10
Output  | 0.00023067 | 0.00023067 | 0.00023067 |   0.0 |  0.00
Modify  | 1.3999     | 1.3999     | 1.3999     |   0.0 |  0.55
Other   |            | 0.1685     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688640.0 ave      688640 max      688640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688640
Ave neighs/atom = 86.080000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.065445879361, Press = 0.660949939354893
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -58288.434   -58288.434   -58634.611   -58634.611    334.80935    334.80935    45606.587    45606.587   -1682.0046   -1682.0046 
   39000   -58285.655   -58285.655   -58630.113   -58630.113    333.14671    333.14671    45565.304    45565.304    2589.8216    2589.8216 
Loop time of 241.244 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.012 hours/ns, 4.145 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.53     | 239.53     | 239.53     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.237      | 0.237      | 0.237      |   0.0 |  0.10
Output  | 0.00028442 | 0.00028442 | 0.00028442 |   0.0 |  0.00
Modify  | 1.3097     | 1.3097     | 1.3097     |   0.0 |  0.54
Other   |            | 0.1631     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688564.0 ave      688564 max      688564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688564
Ave neighs/atom = 86.070500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.066232137576, Press = -1.54548870727555
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58285.655   -58285.655   -58630.113   -58630.113    333.14671    333.14671    45565.304    45565.304    2589.8216    2589.8216 
   40000   -58288.586   -58288.586   -58630.236   -58630.236    330.43138    330.43138    45600.718    45600.718   -1221.2469   -1221.2469 
Loop time of 241.31 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.031 hours/ns, 4.144 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.6      | 239.6      | 239.6      |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23683    | 0.23683    | 0.23683    |   0.0 |  0.10
Output  | 0.00022227 | 0.00022227 | 0.00022227 |   0.0 |  0.00
Modify  | 1.3086     | 1.3086     | 1.3086     |   0.0 |  0.54
Other   |            | 0.1634     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688704.0 ave      688704 max      688704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688704
Ave neighs/atom = 86.088000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.103600383682, Press = 3.69178719536795
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -58288.586   -58288.586   -58630.236   -58630.236    330.43138    330.43138    45600.718    45600.718   -1221.2469   -1221.2469 
   41000   -58288.207   -58288.207   -58635.531   -58635.531    335.91906    335.91906    45595.424    45595.424   -609.36782   -609.36782 
Loop time of 264.863 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.326 ns/day, 73.573 hours/ns, 3.776 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 262.94     | 262.94     | 262.94     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2559     | 0.2559     | 0.2559     |   0.0 |  0.10
Output  | 0.00023468 | 0.00023468 | 0.00023468 |   0.0 |  0.00
Modify  | 1.491      | 1.491      | 1.491      |   0.0 |  0.56
Other   |            | 0.1749     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688630.0 ave      688630 max      688630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688630
Ave neighs/atom = 86.078750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.098071700901, Press = -1.57952823977636
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58288.207   -58288.207   -58635.531   -58635.531    335.91906    335.91906    45595.424    45595.424   -609.36782   -609.36782 
   42000   -58296.111   -58296.111   -58635.207   -58635.207    327.96125    327.96125    45572.708    45572.708    1234.6935    1234.6935 
Loop time of 286.896 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.301 ns/day, 79.693 hours/ns, 3.486 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 284.79     | 284.79     | 284.79     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27128    | 0.27128    | 0.27128    |   0.0 |  0.09
Output  | 0.00030565 | 0.00030565 | 0.00030565 |   0.0 |  0.00
Modify  | 1.6422     | 1.6422     | 1.6422     |   0.0 |  0.57
Other   |            | 0.1877     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688620.0 ave      688620 max      688620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688620
Ave neighs/atom = 86.077500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.083143513607, Press = 1.36662338447446
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58296.111   -58296.111   -58635.207   -58635.207    327.96125    327.96125    45572.708    45572.708    1234.6935    1234.6935 
   43000   -58283.156   -58283.156   -58628.576   -58628.576    334.07801    334.07801    45605.603    45605.603   -1367.9166   -1367.9166 
Loop time of 262.217 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.329 ns/day, 72.838 hours/ns, 3.814 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 260.33     | 260.33     | 260.33     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25184    | 0.25184    | 0.25184    |   0.0 |  0.10
Output  | 0.00022814 | 0.00022814 | 0.00022814 |   0.0 |  0.00
Modify  | 1.4626     | 1.4626     | 1.4626     |   0.0 |  0.56
Other   |            | 0.1708     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688658.0 ave      688658 max      688658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688658
Ave neighs/atom = 86.082250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.06162266281, Press = -0.289397315843867
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -58283.156   -58283.156   -58628.576   -58628.576    334.07801    334.07801    45605.603    45605.603   -1367.9166   -1367.9166 
   44000   -58285.669   -58285.669   -58633.249   -58633.249    336.16625    336.16625    45563.276    45563.276    2435.6716    2435.6716 
Loop time of 242.16 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.267 hours/ns, 4.129 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.45     | 240.45     | 240.45     |   0.0 | 99.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23898    | 0.23898    | 0.23898    |   0.0 |  0.10
Output  | 0.0002686  | 0.0002686  | 0.0002686  |   0.0 |  0.00
Modify  | 1.3076     | 1.3076     | 1.3076     |   0.0 |  0.54
Other   |            | 0.1599     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688646.0 ave      688646 max      688646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688646
Ave neighs/atom = 86.080750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.076874228377, Press = 0.42522030996847
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -58285.669   -58285.669   -58633.249   -58633.249    336.16625    336.16625    45563.276    45563.276    2435.6716    2435.6716 
   45000   -58292.204   -58292.204   -58635.495   -58635.495    332.01799    332.01799    45658.983    45658.983   -6853.5358   -6853.5358 
Loop time of 242.06 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.239 hours/ns, 4.131 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.35     | 240.35     | 240.35     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23738    | 0.23738    | 0.23738    |   0.0 |  0.10
Output  | 0.00022501 | 0.00022501 | 0.00022501 |   0.0 |  0.00
Modify  | 1.314      | 1.314      | 1.314      |   0.0 |  0.54
Other   |            | 0.1618     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688738.0 ave      688738 max      688738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688738
Ave neighs/atom = 86.092250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.115686826089, Press = 1.91171408024835
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58292.204   -58292.204   -58635.495   -58635.495    332.01799    332.01799    45658.983    45658.983   -6853.5358   -6853.5358 
   46000     -58289.3     -58289.3   -58631.819   -58631.819    331.27142    331.27142     45555.17     45555.17    3284.5035    3284.5035 
Loop time of 241.535 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.093 hours/ns, 4.140 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.82     | 239.82     | 239.82     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23814    | 0.23814    | 0.23814    |   0.0 |  0.10
Output  | 0.00022647 | 0.00022647 | 0.00022647 |   0.0 |  0.00
Modify  | 1.3103     | 1.3103     | 1.3103     |   0.0 |  0.54
Other   |            | 0.163      |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688472.0 ave      688472 max      688472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688472
Ave neighs/atom = 86.059000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.14156290607, Press = -1.87194500009977
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000     -58289.3     -58289.3   -58631.819   -58631.819    331.27142    331.27142     45555.17     45555.17    3284.5035    3284.5035 
   47000   -58295.138   -58295.138   -58639.751   -58639.751    333.29763    333.29763    45592.024    45592.024   -543.99075   -543.99075 
Loop time of 241.652 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.125 hours/ns, 4.138 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.94     | 239.94     | 239.94     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23833    | 0.23833    | 0.23833    |   0.0 |  0.10
Output  | 0.00022705 | 0.00022705 | 0.00022705 |   0.0 |  0.00
Modify  | 1.3096     | 1.3096     | 1.3096     |   0.0 |  0.54
Other   |            | 0.1634     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688774.0 ave      688774 max      688774 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688774
Ave neighs/atom = 86.096750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.149741584533, Press = 2.13572090907376
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -58295.138   -58295.138   -58639.751   -58639.751    333.29763    333.29763    45592.024    45592.024   -543.99075   -543.99075 
   48000   -58284.814   -58284.814   -58628.757   -58628.757    332.64907    332.64907    45593.732    45593.732   -286.90695   -286.90695 
Loop time of 241.871 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.186 hours/ns, 4.134 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.15     | 240.15     | 240.15     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23841    | 0.23841    | 0.23841    |   0.0 |  0.10
Output  | 0.0002271  | 0.0002271  | 0.0002271  |   0.0 |  0.00
Modify  | 1.3176     | 1.3176     | 1.3176     |   0.0 |  0.54
Other   |            | 0.163      |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688578.0 ave      688578 max      688578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688578
Ave neighs/atom = 86.072250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.149416821082, Press = -0.744196716845911
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58284.814   -58284.814   -58628.757   -58628.757    332.64907    332.64907    45593.732    45593.732   -286.90695   -286.90695 
   49000   -58294.028   -58294.028    -58633.98    -58633.98    328.78923    328.78923    45578.112    45578.112     784.7586     784.7586 
Loop time of 242.199 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.278 hours/ns, 4.129 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.48     | 240.48     | 240.48     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23834    | 0.23834    | 0.23834    |   0.0 |  0.10
Output  | 0.00022741 | 0.00022741 | 0.00022741 |   0.0 |  0.00
Modify  | 1.3191     | 1.3191     | 1.3191     |   0.0 |  0.54
Other   |            | 0.1625     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688694.0 ave      688694 max      688694 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688694
Ave neighs/atom = 86.086750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.134432370581, Press = 1.27974483712018
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -58294.028   -58294.028    -58633.98    -58633.98    328.78923    328.78923    45578.112    45578.112     784.7586     784.7586 
   50000   -58284.708   -58284.708   -58627.725   -58627.725     331.7535     331.7535    45605.615    45605.615   -1464.1867   -1464.1867 
Loop time of 241.27 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.358 ns/day, 67.019 hours/ns, 4.145 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 239.57     | 239.57     | 239.57     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23538    | 0.23538    | 0.23538    |   0.0 |  0.10
Output  | 0.00022516 | 0.00022516 | 0.00022516 |   0.0 |  0.00
Modify  | 1.3047     | 1.3047     | 1.3047     |   0.0 |  0.54
Other   |            | 0.1628     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688668.0 ave      688668 max      688668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688668
Ave neighs/atom = 86.083500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.13790458803, Press = -0.496253226581371
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -58284.708   -58284.708   -58627.725   -58627.725     331.7535     331.7535    45605.615    45605.615   -1464.1867   -1464.1867 
   51000   -58289.223   -58289.223   -58634.549   -58634.549    333.98648    333.98648    45539.583    45539.583    4603.7767    4603.7767 
Loop time of 241.802 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.167 hours/ns, 4.136 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.09     | 240.09     | 240.09     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24071    | 0.24071    | 0.24071    |   0.0 |  0.10
Output  | 0.00027651 | 0.00027651 | 0.00027651 |   0.0 |  0.00
Modify  | 1.3117     | 1.3117     | 1.3117     |   0.0 |  0.54
Other   |            | 0.1626     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688720.0 ave      688720 max      688720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688720
Ave neighs/atom = 86.090000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.140001213421, Press = 1.33339587406792
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58289.223   -58289.223   -58634.549   -58634.549    333.98648    333.98648    45539.583    45539.583    4603.7767    4603.7767 
   52000   -58283.653   -58283.653   -58629.194   -58629.194    334.19424    334.19424    45638.299    45638.299   -4655.3368   -4655.3368 
Loop time of 242.28 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.300 hours/ns, 4.127 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.56     | 240.56     | 240.56     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24076    | 0.24076    | 0.24076    |   0.0 |  0.10
Output  | 0.00022561 | 0.00022561 | 0.00022561 |   0.0 |  0.00
Modify  | 1.3167     | 1.3167     | 1.3167     |   0.0 |  0.54
Other   |            | 0.1617     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688712.0 ave      688712 max      688712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688712
Ave neighs/atom = 86.089000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.148241852404, Press = 0.632781132375476
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -58283.653   -58283.653   -58629.194   -58629.194    334.19424    334.19424    45638.299    45638.299   -4655.3368   -4655.3368 
   53000   -58293.038   -58293.038   -58639.414   -58639.414    335.00254    335.00254    45561.628    45561.628    2160.1711    2160.1711 
Loop time of 242.268 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.357 ns/day, 67.297 hours/ns, 4.128 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.55     | 240.55     | 240.55     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23942    | 0.23942    | 0.23942    |   0.0 |  0.10
Output  | 0.00022653 | 0.00022653 | 0.00022653 |   0.0 |  0.00
Modify  | 1.312      | 1.312      | 1.312      |   0.0 |  0.54
Other   |            | 0.1627     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688628.0 ave      688628 max      688628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688628
Ave neighs/atom = 86.078500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.143165592651, Press = -0.305259164708594
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -58293.038   -58293.038   -58639.414   -58639.414    335.00254    335.00254    45561.628    45561.628    2160.1711    2160.1711 
   54000   -58286.607   -58286.607   -58634.072   -58634.072    336.05548    336.05548    45600.806    45600.806   -1290.7092   -1290.7092 
Loop time of 242.894 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.356 ns/day, 67.471 hours/ns, 4.117 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.17     | 241.17     | 241.17     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23997    | 0.23997    | 0.23997    |   0.0 |  0.10
Output  | 0.00026635 | 0.00026635 | 0.00026635 |   0.0 |  0.00
Modify  | 1.3206     | 1.3206     | 1.3206     |   0.0 |  0.54
Other   |            | 0.1639     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688686.0 ave      688686 max      688686 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688686
Ave neighs/atom = 86.085750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.150676016941, Press = 1.33842422711735
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58286.607   -58286.607   -58634.072   -58634.072    336.05548    336.05548    45600.806    45600.806   -1290.7092   -1290.7092 
   55000    -58288.72    -58288.72   -58634.502   -58634.502    334.42689    334.42689    45584.276    45584.276    537.19903    537.19903 
Loop time of 243.883 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.354 ns/day, 67.745 hours/ns, 4.100 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 242.15     | 242.15     | 242.15     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24409    | 0.24409    | 0.24409    |   0.0 |  0.10
Output  | 0.00026266 | 0.00026266 | 0.00026266 |   0.0 |  0.00
Modify  | 1.3275     | 1.3275     | 1.3275     |   0.0 |  0.54
Other   |            | 0.1653     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688648.0 ave      688648 max      688648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688648
Ave neighs/atom = 86.081000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.15100296909, Press = -0.768846182670207
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000    -58288.72    -58288.72   -58634.502   -58634.502    334.42689    334.42689    45584.276    45584.276    537.19903    537.19903 
   56000   -58285.569   -58285.569   -58633.237   -58633.237    336.25174    336.25174    45582.861    45582.861    554.68791    554.68791 
Loop time of 243.411 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.355 ns/day, 67.614 hours/ns, 4.108 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.68     | 241.68     | 241.68     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24241    | 0.24241    | 0.24241    |   0.0 |  0.10
Output  | 0.00022771 | 0.00022771 | 0.00022771 |   0.0 |  0.00
Modify  | 1.3267     | 1.3267     | 1.3267     |   0.0 |  0.55
Other   |            | 0.1639     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688596.0 ave      688596 max      688596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688596
Ave neighs/atom = 86.074500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.159256786162, Press = 1.79273277382775
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58285.569   -58285.569   -58633.237   -58633.237    336.25174    336.25174    45582.861    45582.861    554.68791    554.68791 
   57000   -58284.687   -58284.687   -58630.922   -58630.922    334.86512    334.86512     45630.72     45630.72   -3750.2373   -3750.2373 
Loop time of 243.51 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.355 ns/day, 67.642 hours/ns, 4.107 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.78     | 241.78     | 241.78     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24284    | 0.24284    | 0.24284    |   0.0 |  0.10
Output  | 0.00022489 | 0.00022489 | 0.00022489 |   0.0 |  0.00
Modify  | 1.3251     | 1.3251     | 1.3251     |   0.0 |  0.54
Other   |            | 0.1636     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688594.0 ave      688594 max      688594 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688594
Ave neighs/atom = 86.074250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.157323962846, Press = -2.30079589726507
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -58284.687   -58284.687   -58630.922   -58630.922    334.86512    334.86512     45630.72     45630.72   -3750.2373   -3750.2373 
   58000   -58293.704   -58293.704   -58638.081   -58638.081    333.06908    333.06908    45547.743    45547.743    3640.9124    3640.9124 
Loop time of 244.347 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.354 ns/day, 67.874 hours/ns, 4.093 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 242.61     | 242.61     | 242.61     |   0.0 | 99.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24388    | 0.24388    | 0.24388    |   0.0 |  0.10
Output  | 0.0002176  | 0.0002176  | 0.0002176  |   0.0 |  0.00
Modify  | 1.3302     | 1.3302     | 1.3302     |   0.0 |  0.54
Other   |            | 0.1641     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688562.0 ave      688562 max      688562 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688562
Ave neighs/atom = 86.070250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.169013549514, Press = 1.53968261528663
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.96
  ghost atom cutoff = 4.96
  binsize = 2.48, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.96
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.81 | 10.81 | 10.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -58293.704   -58293.704   -58638.081   -58638.081    333.06908    333.06908    45547.743    45547.743    3640.9124    3640.9124 
   59000   -58285.158   -58285.158    -58631.53    -58631.53    334.99869    334.99869    45613.663    45613.663   -2253.8184   -2253.8184 
Loop time of 243.666 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.355 ns/day, 67.685 hours/ns, 4.104 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.91     | 241.91     | 241.91     |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24989    | 0.24989    | 0.24989    |   0.0 |  0.10
Output  | 0.00028449 | 0.00028449 | 0.00028449 |   0.0 |  0.00
Modify  | 1.3424     | 1.3424     | 1.3424     |   0.0 |  0.55
Other   |            | 0.1657     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688712.0 ave      688712 max      688712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688712
Ave neighs/atom = 86.089000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
45588.5480863604

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0