# 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 3.523954182863236*${_u_distance}
variable latticeconst_converted equal 3.523954182863236*1
lattice       fcc  ${latticeconst_converted}
lattice       fcc  3.52395418286324
Lattice spacing in x,y,z = 3.5239542 3.5239542 3.5239542
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 (35.239542 35.239542 35.239542)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 4000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.239542 35.239542 35.239542)
  create_atoms CPU = 0.002 seconds

variable mass_converted equal 58.6934*${_u_mass}
variable mass_converted equal 58.6934*1

kim_interactions Ni

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

kim interactions Ni
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
pair_coeff * * Ni
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 58.6934

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 43761.3548954079    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 43761.3548954079/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 43761.3548954079/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 43761.3548954079/(1*1*${_u_distance})
variable      V0_metal equal 43761.3548954079/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 43761.3548954079*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 43761.3548954079 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_036303866285_000#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 = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0    -17556.19    -17556.19   -17728.399   -17728.399       333.15       333.15    43761.355    43761.355    4203.1583    4203.1583 
    1000   -17364.269   -17364.269   -17546.559   -17546.559    352.65282    352.65282    44253.767    44253.767   -2924.5197   -2924.5197 
Loop time of 30.4518 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.837 ns/day, 8.459 hours/ns, 32.839 timesteps/s
98.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 29.994     | 29.994     | 29.994     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070311   | 0.070311   | 0.070311   |   0.0 |  0.23
Output  | 0.00030684 | 0.00030684 | 0.00030684 |   0.0 |  0.00
Modify  | 0.33639    | 0.33639    | 0.33639    |   0.0 |  1.10
Other   |            | 0.05117    |            |       |  0.17

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704000.0 ave      704000 max      704000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704000
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -17364.269   -17364.269   -17546.559   -17546.559    352.65282    352.65282    44253.767    44253.767   -2924.5197   -2924.5197 
    2000   -17381.265   -17381.265   -17547.194   -17547.194    321.00166    321.00166    44127.676    44127.676    1386.4475    1386.4475 
Loop time of 30.1106 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.869 ns/day, 8.364 hours/ns, 33.211 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 29.672     | 29.672     | 29.672     |   0.0 | 98.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068881   | 0.068881   | 0.068881   |   0.0 |  0.23
Output  | 0.00026578 | 0.00026578 | 0.00026578 |   0.0 |  0.00
Modify  | 0.31933    | 0.31933    | 0.31933    |   0.0 |  1.06
Other   |            | 0.04994    |            |       |  0.17

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703264.0 ave      703264 max      703264 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703264
Ave neighs/atom = 175.81600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -17381.265   -17381.265   -17547.194   -17547.194    321.00166    321.00166    44127.676    44127.676    1386.4475    1386.4475 
    3000   -17373.058   -17373.058   -17550.913   -17550.913    344.07195    344.07195    44189.512    44189.512   -732.67231   -732.67231 
Loop time of 29.8205 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.897 ns/day, 8.283 hours/ns, 33.534 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 29.382     | 29.382     | 29.382     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067283   | 0.067283   | 0.067283   |   0.0 |  0.23
Output  | 0.00014699 | 0.00014699 | 0.00014699 |   0.0 |  0.00
Modify  | 0.32455    | 0.32455    | 0.32455    |   0.0 |  1.09
Other   |            | 0.04653    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704150.0 ave      704150 max      704150 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704150
Ave neighs/atom = 176.03750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -17373.058   -17373.058   -17550.913   -17550.913    344.07195    344.07195    44189.512    44189.512   -732.67231   -732.67231 
    4000   -17377.894   -17377.894   -17555.198   -17555.198    343.00706    343.00706    44131.963    44131.963    1037.6531    1037.6531 
Loop time of 30.512 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.832 ns/day, 8.476 hours/ns, 32.774 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    | 30.066     | 30.066     | 30.066     |   0.0 | 98.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069486   | 0.069486   | 0.069486   |   0.0 |  0.23
Output  | 0.00016323 | 0.00016323 | 0.00016323 |   0.0 |  0.00
Modify  | 0.32739    | 0.32739    | 0.32739    |   0.0 |  1.07
Other   |            | 0.04933    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703734.0 ave      703734 max      703734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703734
Ave neighs/atom = 175.93350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -17377.894   -17377.894   -17555.198   -17555.198    343.00706    343.00706    44131.963    44131.963    1037.6531    1037.6531 
    5000   -17374.848   -17374.848   -17548.991   -17548.991     336.8919     336.8919    44218.275    44218.275   -1937.4287   -1937.4287 
Loop time of 31.2035 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.769 ns/day, 8.668 hours/ns, 32.048 timesteps/s
98.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.748     | 30.748     | 30.748     |   0.0 | 98.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070394   | 0.070394   | 0.070394   |   0.0 |  0.23
Output  | 0.00011039 | 0.00011039 | 0.00011039 |   0.0 |  0.00
Modify  | 0.33398    | 0.33398    | 0.33398    |   0.0 |  1.07
Other   |            | 0.05116    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704130.0 ave      704130 max      704130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704130
Ave neighs/atom = 176.03250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 337.540856143623, Press = 266.655820284839
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -17374.848   -17374.848   -17548.991   -17548.991     336.8919     336.8919    44218.275    44218.275   -1937.4287   -1937.4287 
    6000    -17375.13    -17375.13   -17548.417   -17548.417    335.23534    335.23534    44093.643    44093.643    2767.2337    2767.2337 
Loop time of 30.1091 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.870 ns/day, 8.364 hours/ns, 33.213 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 29.659     | 29.659     | 29.659     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068345   | 0.068345   | 0.068345   |   0.0 |  0.23
Output  | 7.6412e-05 | 7.6412e-05 | 7.6412e-05 |   0.0 |  0.00
Modify  | 0.32749    | 0.32749    | 0.32749    |   0.0 |  1.09
Other   |            | 0.05439    |            |       |  0.18

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703470.0 ave      703470 max      703470 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703470
Ave neighs/atom = 175.86750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.931357703781, Press = 9.99146122452646
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000    -17375.13    -17375.13   -17548.417   -17548.417    335.23534    335.23534    44093.643    44093.643    2767.2337    2767.2337 
    7000   -17377.248   -17377.248    -17547.84    -17547.84    330.02187    330.02187    44225.571    44225.571   -2160.2596   -2160.2596 
Loop time of 30.61 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.823 ns/day, 8.503 hours/ns, 32.669 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.151     | 30.151     | 30.151     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069953   | 0.069953   | 0.069953   |   0.0 |  0.23
Output  | 0.00011663 | 0.00011663 | 0.00011663 |   0.0 |  0.00
Modify  | 0.33933    | 0.33933    | 0.33933    |   0.0 |  1.11
Other   |            | 0.05001    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704476.0 ave      704476 max      704476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704476
Ave neighs/atom = 176.11900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.276933850821, Press = 25.5563367671008
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -17377.248   -17377.248    -17547.84    -17547.84    330.02187    330.02187    44225.571    44225.571   -2160.2596   -2160.2596 
    8000   -17376.123   -17376.123   -17548.799   -17548.799     334.0548     334.0548    44141.593    44141.593    974.12367    974.12367 
Loop time of 30.7204 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.812 ns/day, 8.533 hours/ns, 32.552 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.26      | 30.26      | 30.26      |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069894   | 0.069894   | 0.069894   |   0.0 |  0.23
Output  | 0.00010805 | 0.00010805 | 0.00010805 |   0.0 |  0.00
Modify  | 0.33945    | 0.33945    | 0.33945    |   0.0 |  1.10
Other   |            | 0.05099    |            |       |  0.17

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703566.0 ave      703566 max      703566 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703566
Ave neighs/atom = 175.89150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.799778824516, Press = 3.2237255427533
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -17376.123   -17376.123   -17548.799   -17548.799     334.0548     334.0548    44141.593    44141.593    974.12367    974.12367 
    9000   -17381.511   -17381.511   -17552.436   -17552.436    330.66749    330.66749    44185.933    44185.933   -1070.0923   -1070.0923 
Loop time of 30.6874 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.815 ns/day, 8.524 hours/ns, 32.587 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.218     | 30.218     | 30.218     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069846   | 0.069846   | 0.069846   |   0.0 |  0.23
Output  | 0.00010725 | 0.00010725 | 0.00010725 |   0.0 |  0.00
Modify  | 0.34966    | 0.34966    | 0.34966    |   0.0 |  1.14
Other   |            | 0.04951    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704056.0 ave      704056 max      704056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704056
Ave neighs/atom = 176.01400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.769356229716, Press = 10.6812367614749
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -17381.511   -17381.511   -17552.436   -17552.436    330.66749    330.66749    44185.933    44185.933   -1070.0923   -1070.0923 
   10000   -17376.713   -17376.713   -17543.999   -17543.999     323.6254     323.6254    44134.858    44134.858    1415.5503    1415.5503 
Loop time of 30.331 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.849 ns/day, 8.425 hours/ns, 32.970 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    | 29.876     | 29.876     | 29.876     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069202   | 0.069202   | 0.069202   |   0.0 |  0.23
Output  | 0.00020935 | 0.00020935 | 0.00020935 |   0.0 |  0.00
Modify  | 0.33422    | 0.33422    | 0.33422    |   0.0 |  1.10
Other   |            | 0.05122    |            |       |  0.17

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703662.0 ave      703662 max      703662 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703662
Ave neighs/atom = 175.91550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.827444742567, Press = -3.43351523205934
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -17376.713   -17376.713   -17543.999   -17543.999     323.6254     323.6254    44134.858    44134.858    1415.5503    1415.5503 
   11000   -17380.073   -17380.073    -17551.05    -17551.05    330.76616    330.76616    44181.596    44181.596   -768.63606   -768.63606 
Loop time of 30.974 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.789 ns/day, 8.604 hours/ns, 32.285 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.504     | 30.504     | 30.504     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.071165   | 0.071165   | 0.071165   |   0.0 |  0.23
Output  | 0.00012022 | 0.00012022 | 0.00012022 |   0.0 |  0.00
Modify  | 0.34685    | 0.34685    | 0.34685    |   0.0 |  1.12
Other   |            | 0.05155    |            |       |  0.17

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704112.0 ave      704112 max      704112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704112
Ave neighs/atom = 176.02800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.821923729802, Press = 10.5053735516652
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -17380.073   -17380.073    -17551.05    -17551.05    330.76616    330.76616    44181.596    44181.596   -768.63606   -768.63606 
   12000   -17375.643   -17375.643    -17546.82    -17546.82    331.15202    331.15202    44140.917    44140.917    1109.1576    1109.1576 
Loop time of 30.7973 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.805 ns/day, 8.555 hours/ns, 32.470 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.326     | 30.326     | 30.326     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.081649   | 0.081649   | 0.081649   |   0.0 |  0.27
Output  | 0.00011112 | 0.00011112 | 0.00011112 |   0.0 |  0.00
Modify  | 0.33974    | 0.33974    | 0.33974    |   0.0 |  1.10
Other   |            | 0.04934    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703778.0 ave      703778 max      703778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703778
Ave neighs/atom = 175.94450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.711862072281, Press = -5.36210723719895
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -17375.643   -17375.643    -17546.82    -17546.82    331.15202    331.15202    44140.917    44140.917    1109.1576    1109.1576 
   13000   -17384.277   -17384.277   -17555.697   -17555.697     331.6235     331.6235    44189.814    44189.814   -1376.1581   -1376.1581 
Loop time of 30.7881 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.806 ns/day, 8.552 hours/ns, 32.480 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.328     | 30.328     | 30.328     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070089   | 0.070089   | 0.070089   |   0.0 |  0.23
Output  | 0.00011498 | 0.00011498 | 0.00011498 |   0.0 |  0.00
Modify  | 0.33968    | 0.33968    | 0.33968    |   0.0 |  1.10
Other   |            | 0.04976    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704030.0 ave      704030 max      704030 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704030
Ave neighs/atom = 176.00750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.579608496441, Press = 14.1895788148985
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -17384.277   -17384.277   -17555.697   -17555.697     331.6235     331.6235    44189.814    44189.814   -1376.1581   -1376.1581 
   14000   -17373.596   -17373.596   -17547.041   -17547.041    335.54032    335.54032     44157.76     44157.76    527.82164    527.82164 
Loop time of 30.902 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.796 ns/day, 8.584 hours/ns, 32.360 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.438     | 30.438     | 30.438     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070384   | 0.070384   | 0.070384   |   0.0 |  0.23
Output  | 0.00011195 | 0.00011195 | 0.00011195 |   0.0 |  0.00
Modify  | 0.34334    | 0.34334    | 0.34334    |   0.0 |  1.11
Other   |            | 0.04971    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703754.0 ave      703754 max      703754 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703754
Ave neighs/atom = 175.93850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.603644879663, Press = -3.62131883089833
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -17373.596   -17373.596   -17547.041   -17547.041    335.54032    335.54032     44157.76     44157.76    527.82164    527.82164 
   15000   -17378.939   -17378.939   -17547.969   -17547.969    326.99975    326.99975    44159.663    44159.663    195.74112    195.74112 
Loop time of 30.7576 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.809 ns/day, 8.544 hours/ns, 32.512 timesteps/s
99.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.286     | 30.286     | 30.286     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069648   | 0.069648   | 0.069648   |   0.0 |  0.23
Output  | 0.00011345 | 0.00011345 | 0.00011345 |   0.0 |  0.00
Modify  | 0.34945    | 0.34945    | 0.34945    |   0.0 |  1.14
Other   |            | 0.05262    |            |       |  0.17

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703744.0 ave      703744 max      703744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703744
Ave neighs/atom = 175.93600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.7885169644, Press = 6.29326247109979
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -17378.939   -17378.939   -17547.969   -17547.969    326.99975    326.99975    44159.663    44159.663    195.74112    195.74112 
   16000   -17379.815   -17379.815   -17550.611   -17550.611      330.417      330.417    44159.559    44159.559    116.00618    116.00618 
Loop time of 30.4649 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.836 ns/day, 8.462 hours/ns, 32.825 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.005     | 30.005     | 30.005     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070124   | 0.070124   | 0.070124   |   0.0 |  0.23
Output  | 0.00025128 | 0.00025128 | 0.00025128 |   0.0 |  0.00
Modify  | 0.33543    | 0.33543    | 0.33543    |   0.0 |  1.10
Other   |            | 0.05438    |            |       |  0.18

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703914.0 ave      703914 max      703914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703914
Ave neighs/atom = 175.97850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.861963565248, Press = -2.53272403590806
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -17379.815   -17379.815   -17550.611   -17550.611      330.417      330.417    44159.559    44159.559    116.00618    116.00618 
   17000   -17380.756   -17380.756   -17552.677   -17552.677    332.59256    332.59256    44140.705    44140.705     667.7598     667.7598 
Loop time of 30.0369 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.876 ns/day, 8.344 hours/ns, 33.292 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    | 29.602     | 29.602     | 29.602     |   0.0 | 98.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067814   | 0.067814   | 0.067814   |   0.0 |  0.23
Output  | 0.00013837 | 0.00013837 | 0.00013837 |   0.0 |  0.00
Modify  | 0.3196     | 0.3196     | 0.3196     |   0.0 |  1.06
Other   |            | 0.04759    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704002.0 ave      704002 max      704002 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704002
Ave neighs/atom = 176.00050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.645843356129, Press = 7.17356677626466
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -17380.756   -17380.756   -17552.677   -17552.677    332.59256    332.59256    44140.705    44140.705     667.7598     667.7598 
   18000   -17375.753   -17375.753   -17547.161   -17547.161    331.59957    331.59957    44195.021    44195.021   -859.18414   -859.18414 
Loop time of 29.1507 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.964 ns/day, 8.097 hours/ns, 34.305 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    | 28.742     | 28.742     | 28.742     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065329   | 0.065329   | 0.065329   |   0.0 |  0.22
Output  | 0.00010197 | 0.00010197 | 0.00010197 |   0.0 |  0.00
Modify  | 0.29841    | 0.29841    | 0.29841    |   0.0 |  1.02
Other   |            | 0.04514    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704120.0 ave      704120 max      704120 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704120
Ave neighs/atom = 176.03000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.592352507947, Press = -1.05355539642358
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -17375.753   -17375.753   -17547.161   -17547.161    331.59957    331.59957    44195.021    44195.021   -859.18414   -859.18414 
   19000   -17375.786   -17375.786    -17548.72    -17548.72    334.55309    334.55309    44152.276    44152.276    581.48146    581.48146 
Loop time of 29.2214 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.957 ns/day, 8.117 hours/ns, 34.222 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    | 28.818     | 28.818     | 28.818     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062827   | 0.062827   | 0.062827   |   0.0 |  0.22
Output  | 0.00010131 | 0.00010131 | 0.00010131 |   0.0 |  0.00
Modify  | 0.29635    | 0.29635    | 0.29635    |   0.0 |  1.01
Other   |            | 0.0445     |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703708.0 ave      703708 max      703708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703708
Ave neighs/atom = 175.92700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.652156044171, Press = 3.19246465608245
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -17375.786   -17375.786    -17548.72    -17548.72    334.55309    334.55309    44152.276    44152.276    581.48146    581.48146 
   20000   -17377.585   -17377.585   -17550.628   -17550.628     334.7623     334.7623    44177.949    44177.949   -552.04056   -552.04056 
Loop time of 29.3855 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.940 ns/day, 8.163 hours/ns, 34.030 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    | 28.982     | 28.982     | 28.982     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062844   | 0.062844   | 0.062844   |   0.0 |  0.21
Output  | 0.00011212 | 0.00011212 | 0.00011212 |   0.0 |  0.00
Modify  | 0.29869    | 0.29869    | 0.29869    |   0.0 |  1.02
Other   |            | 0.0423     |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703924.0 ave      703924 max      703924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703924
Ave neighs/atom = 175.98100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.839787892761, Press = 0.685798537559189
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -17377.585   -17377.585   -17550.628   -17550.628     334.7623     334.7623    44177.949    44177.949   -552.04056   -552.04056 
   21000   -17372.555   -17372.555   -17546.304   -17546.304     336.1293     336.1293    44156.786    44156.786    580.65999    580.65999 
Loop time of 28.6932 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.011 ns/day, 7.970 hours/ns, 34.851 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    | 28.312     | 28.312     | 28.312     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060912   | 0.060912   | 0.060912   |   0.0 |  0.21
Output  | 7.781e-05  | 7.781e-05  | 7.781e-05  |   0.0 |  0.00
Modify  | 0.28096    | 0.28096    | 0.28096    |   0.0 |  0.98
Other   |            | 0.03948    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703800.0 ave      703800 max      703800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703800
Ave neighs/atom = 175.95000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.875643381169, Press = 2.17805672951087
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -17372.555   -17372.555   -17546.304   -17546.304     336.1293     336.1293    44156.786    44156.786    580.65999    580.65999 
   22000   -17376.458   -17376.458   -17549.969   -17549.969    335.66808    335.66808    44232.119    44232.119   -2559.9232   -2559.9232 
Loop time of 29.8971 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.890 ns/day, 8.305 hours/ns, 33.448 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    | 29.467     | 29.467     | 29.467     |   0.0 | 98.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065276   | 0.065276   | 0.065276   |   0.0 |  0.22
Output  | 0.00011577 | 0.00011577 | 0.00011577 |   0.0 |  0.00
Modify  | 0.3166     | 0.3166     | 0.3166     |   0.0 |  1.06
Other   |            | 0.04764    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703928.0 ave      703928 max      703928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703928
Ave neighs/atom = 175.98200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.813198552532, Press = -0.167907279382947
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -17376.458   -17376.458   -17549.969   -17549.969    335.66808    335.66808    44232.119    44232.119   -2559.9232   -2559.9232 
   23000   -17379.284   -17379.284   -17551.591   -17551.591    333.34104    333.34104    44084.969    44084.969     2771.792     2771.792 
Loop time of 29.6002 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.919 ns/day, 8.222 hours/ns, 33.784 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    | 29.181     | 29.181     | 29.181     |   0.0 | 98.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063995   | 0.063995   | 0.063995   |   0.0 |  0.22
Output  | 7.6448e-05 | 7.6448e-05 | 7.6448e-05 |   0.0 |  0.00
Modify  | 0.30965    | 0.30965    | 0.30965    |   0.0 |  1.05
Other   |            | 0.04552    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703342.0 ave      703342 max      703342 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703342
Ave neighs/atom = 175.83550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.808055395912, Press = 1.73055952214897
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -17379.284   -17379.284   -17551.591   -17551.591    333.34104    333.34104    44084.969    44084.969     2771.792     2771.792 
   24000   -17379.372   -17379.372    -17550.03    -17550.03    330.14863    330.14863    44213.216    44213.216   -1855.7135   -1855.7135 
Loop time of 29.9283 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.887 ns/day, 8.313 hours/ns, 33.413 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    | 29.497     | 29.497     | 29.497     |   0.0 | 98.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064918   | 0.064918   | 0.064918   |   0.0 |  0.22
Output  | 0.00018031 | 0.00018031 | 0.00018031 |   0.0 |  0.00
Modify  | 0.3185     | 0.3185     | 0.3185     |   0.0 |  1.06
Other   |            | 0.04813    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704396.0 ave      704396 max      704396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704396
Ave neighs/atom = 176.09900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.775605888934, Press = 2.00883621241261
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -17379.372   -17379.372    -17550.03    -17550.03    330.14863    330.14863    44213.216    44213.216   -1855.7135   -1855.7135 
   25000   -17376.562   -17376.562   -17550.242   -17550.242    335.99624    335.99624    44138.232    44138.232    987.80576    987.80576 
Loop time of 29.895 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.890 ns/day, 8.304 hours/ns, 33.450 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    | 29.462     | 29.462     | 29.462     |   0.0 | 98.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065005   | 0.065005   | 0.065005   |   0.0 |  0.22
Output  | 8.4799e-05 | 8.4799e-05 | 8.4799e-05 |   0.0 |  0.00
Modify  | 0.31965    | 0.31965    | 0.31965    |   0.0 |  1.07
Other   |            | 0.04864    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703248.0 ave      703248 max      703248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703248
Ave neighs/atom = 175.81200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.804850670274, Press = 0.292716352456702
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -17376.562   -17376.562   -17550.242   -17550.242    335.99624    335.99624    44138.232    44138.232    987.80576    987.80576 
   26000   -17371.863   -17371.863   -17548.406   -17548.406    341.53368    341.53368    44209.085    44209.085   -1559.3661   -1559.3661 
Loop time of 29.3231 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.946 ns/day, 8.145 hours/ns, 34.103 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    | 28.915     | 28.915     | 28.915     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062975   | 0.062975   | 0.062975   |   0.0 |  0.21
Output  | 0.00010274 | 0.00010274 | 0.00010274 |   0.0 |  0.00
Modify  | 0.30167    | 0.30167    | 0.30167    |   0.0 |  1.03
Other   |            | 0.04333    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703864.0 ave      703864 max      703864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703864
Ave neighs/atom = 175.96600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.905498875724, Press = 1.43266163307605
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -17371.863   -17371.863   -17548.406   -17548.406    341.53368    341.53368    44209.085    44209.085   -1559.3661   -1559.3661 
   27000   -17381.918   -17381.918   -17552.095   -17552.095    329.21859    329.21859    44126.922    44126.922    1158.6449    1158.6449 
Loop time of 28.6879 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.012 ns/day, 7.969 hours/ns, 34.858 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    | 28.301     | 28.301     | 28.301     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060923   | 0.060923   | 0.060923   |   0.0 |  0.21
Output  | 7.6152e-05 | 7.6152e-05 | 7.6152e-05 |   0.0 |  0.00
Modify  | 0.2852     | 0.2852     | 0.2852     |   0.0 |  0.99
Other   |            | 0.04075    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703510.0 ave      703510 max      703510 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703510
Ave neighs/atom = 175.87750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.904398220363, Press = 0.461026930778569
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -17381.918   -17381.918   -17552.095   -17552.095    329.21859    329.21859    44126.922    44126.922    1158.6449    1158.6449 
   28000   -17374.925   -17374.925   -17549.362   -17549.362    337.46165    337.46165    44225.685    44225.685   -2265.3449   -2265.3449 
Loop time of 28.7438 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.006 ns/day, 7.984 hours/ns, 34.790 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    | 28.355     | 28.355     | 28.355     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06108    | 0.06108    | 0.06108    |   0.0 |  0.21
Output  | 0.00016367 | 0.00016367 | 0.00016367 |   0.0 |  0.00
Modify  | 0.28696    | 0.28696    | 0.28696    |   0.0 |  1.00
Other   |            | 0.04061    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704108.0 ave      704108 max      704108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704108
Ave neighs/atom = 176.02700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.856902659012, Press = 2.57774156130839
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -17374.925   -17374.925   -17549.362   -17549.362    337.46165    337.46165    44225.685    44225.685   -2265.3449   -2265.3449 
   29000    -17381.35    -17381.35    -17550.07    -17550.07    326.39939    326.39939    44102.877    44102.877    2264.3795    2264.3795 
Loop time of 28.9915 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.980 ns/day, 8.053 hours/ns, 34.493 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    | 28.593     | 28.593     | 28.593     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062016   | 0.062016   | 0.062016   |   0.0 |  0.21
Output  | 0.00010088 | 0.00010088 | 0.00010088 |   0.0 |  0.00
Modify  | 0.29299    | 0.29299    | 0.29299    |   0.0 |  1.01
Other   |            | 0.04313    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703428.0 ave      703428 max      703428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703428
Ave neighs/atom = 175.85700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.777460043641, Press = -1.00152563847449
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000    -17381.35    -17381.35    -17550.07    -17550.07    326.39939    326.39939    44102.877    44102.877    2264.3795    2264.3795 
   30000   -17372.756   -17372.756   -17542.774   -17542.774    328.91232    328.91232    44185.307    44185.307   -238.62302   -238.62302 
Loop time of 28.896 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.990 ns/day, 8.027 hours/ns, 34.607 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    | 28.505     | 28.505     | 28.505     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06119    | 0.06119    | 0.06119    |   0.0 |  0.21
Output  | 0.00021366 | 0.00021366 | 0.00021366 |   0.0 |  0.00
Modify  | 0.28833    | 0.28833    | 0.28833    |   0.0 |  1.00
Other   |            | 0.04093    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704246.0 ave      704246 max      704246 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704246
Ave neighs/atom = 176.06150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.794044736744, Press = 2.37150414889022
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -17372.756   -17372.756   -17542.774   -17542.774    328.91232    328.91232    44185.307    44185.307   -238.62302   -238.62302 
   31000   -17378.821   -17378.821   -17549.439   -17549.439    330.07179    330.07179    44155.466    44155.466    269.91271    269.91271 
Loop time of 28.5094 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.031 ns/day, 7.919 hours/ns, 35.076 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    | 28.13      | 28.13      | 28.13      |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06035    | 0.06035    | 0.06035    |   0.0 |  0.21
Output  | 9.125e-05  | 9.125e-05  | 9.125e-05  |   0.0 |  0.00
Modify  | 0.28009    | 0.28009    | 0.28009    |   0.0 |  0.98
Other   |            | 0.03903    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703534.0 ave      703534 max      703534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703534
Ave neighs/atom = 175.88350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.808278747508, Press = -0.0451594714300639
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -17378.821   -17378.821   -17549.439   -17549.439    330.07179    330.07179    44155.466    44155.466    269.91271    269.91271 
   32000   -17377.613   -17377.613   -17549.643   -17549.643     332.8028     332.8028    44166.676    44166.676   -113.20485   -113.20485 
Loop time of 29.0183 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.977 ns/day, 8.061 hours/ns, 34.461 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    | 28.624     | 28.624     | 28.624     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061633   | 0.061633   | 0.061633   |   0.0 |  0.21
Output  | 0.00010249 | 0.00010249 | 0.00010249 |   0.0 |  0.00
Modify  | 0.29193    | 0.29193    | 0.29193    |   0.0 |  1.01
Other   |            | 0.04095    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703934.0 ave      703934 max      703934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703934
Ave neighs/atom = 175.98350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.823609340601, Press = 2.34673687335598
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -17377.613   -17377.613   -17549.643   -17549.643     332.8028     332.8028    44166.676    44166.676   -113.20485   -113.20485 
   33000   -17378.677   -17378.677   -17551.558   -17551.558    334.44908    334.44908    44190.658    44190.658   -1127.2942   -1127.2942 
Loop time of 28.7617 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.004 ns/day, 7.989 hours/ns, 34.769 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.375     | 28.375     | 28.375     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06084    | 0.06084    | 0.06084    |   0.0 |  0.21
Output  | 0.00010324 | 0.00010324 | 0.00010324 |   0.0 |  0.00
Modify  | 0.28583    | 0.28583    | 0.28583    |   0.0 |  0.99
Other   |            | 0.04012    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703776.0 ave      703776 max      703776 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703776
Ave neighs/atom = 175.94400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.738735389882, Press = -2.58562599418627
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -17378.677   -17378.677   -17551.558   -17551.558    334.44908    334.44908    44190.658    44190.658   -1127.2942   -1127.2942 
   34000   -17375.061   -17375.061   -17546.403   -17546.403    331.47248    331.47248    44132.987    44132.987    1356.1699    1356.1699 
Loop time of 29.5761 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.921 ns/day, 8.216 hours/ns, 33.811 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    | 29.156     | 29.156     | 29.156     |   0.0 | 98.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064621   | 0.064621   | 0.064621   |   0.0 |  0.22
Output  | 0.00010335 | 0.00010335 | 0.00010335 |   0.0 |  0.00
Modify  | 0.3093     | 0.3093     | 0.3093     |   0.0 |  1.05
Other   |            | 0.04597    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703694.0 ave      703694 max      703694 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703694
Ave neighs/atom = 175.92350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.709289219371, Press = 4.15391667730719
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -17375.061   -17375.061   -17546.403   -17546.403    331.47248    331.47248    44132.987    44132.987    1356.1699    1356.1699 
   35000   -17380.382   -17380.382   -17552.291   -17552.291    332.57003    332.57003     44178.76     44178.76   -761.48475   -761.48475 
Loop time of 28.9861 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.981 ns/day, 8.052 hours/ns, 34.499 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    | 28.587     | 28.587     | 28.587     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062995   | 0.062995   | 0.062995   |   0.0 |  0.22
Output  | 0.0002096  | 0.0002096  | 0.0002096  |   0.0 |  0.00
Modify  | 0.29222    | 0.29222    | 0.29222    |   0.0 |  1.01
Other   |            | 0.04405    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704026.0 ave      704026 max      704026 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704026
Ave neighs/atom = 176.00650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.711787201377, Press = -0.405623318147356
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -17380.382   -17380.382   -17552.291   -17552.291    332.57003    332.57003     44178.76     44178.76   -761.48475   -761.48475 
   36000   -17375.629   -17375.629   -17549.276   -17549.276    335.93334    335.93334    44149.434    44149.434    580.91048    580.91048 
Loop time of 28.874 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.992 ns/day, 8.021 hours/ns, 34.633 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.482     | 28.482     | 28.482     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061341   | 0.061341   | 0.061341   |   0.0 |  0.21
Output  | 0.00010038 | 0.00010038 | 0.00010038 |   0.0 |  0.00
Modify  | 0.28925    | 0.28925    | 0.28925    |   0.0 |  1.00
Other   |            | 0.04181    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703750.0 ave      703750 max      703750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703750
Ave neighs/atom = 175.93750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.680799750426, Press = 1.76808553869754
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -17375.629   -17375.629   -17549.276   -17549.276    335.93334    335.93334    44149.434    44149.434    580.91048    580.91048 
   37000   -17382.965   -17382.965   -17554.415   -17554.415     331.6825     331.6825    44184.908    44184.908   -1150.0704   -1150.0704 
Loop time of 29.2225 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.957 ns/day, 8.117 hours/ns, 34.220 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.814     | 28.814     | 28.814     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063082   | 0.063082   | 0.063082   |   0.0 |  0.22
Output  | 0.00012269 | 0.00012269 | 0.00012269 |   0.0 |  0.00
Modify  | 0.30171    | 0.30171    | 0.30171    |   0.0 |  1.03
Other   |            | 0.04403    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703972.0 ave      703972 max      703972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703972
Ave neighs/atom = 175.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.640382577352, Press = 0.0701811786792094
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -17382.965   -17382.965   -17554.415   -17554.415     331.6825     331.6825    44184.908    44184.908   -1150.0704   -1150.0704 
   38000   -17377.476   -17377.476   -17549.728   -17549.728    333.23477    333.23477    44083.362    44083.362    3004.7048    3004.7048 
Loop time of 28.7445 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.006 ns/day, 7.985 hours/ns, 34.789 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    | 28.354     | 28.354     | 28.354     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061013   | 0.061013   | 0.061013   |   0.0 |  0.21
Output  | 9.9229e-05 | 9.9229e-05 | 9.9229e-05 |   0.0 |  0.00
Modify  | 0.28827    | 0.28827    | 0.28827    |   0.0 |  1.00
Other   |            | 0.04081    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703828.0 ave      703828 max      703828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703828
Ave neighs/atom = 175.95700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.642128546116, Press = 2.60005195561033
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -17377.476   -17377.476   -17549.728   -17549.728    333.23477    333.23477    44083.362    44083.362    3004.7048    3004.7048 
   39000   -17370.578   -17370.578   -17542.823   -17542.823    333.21969    333.21969    44244.581    44244.581   -2400.6888   -2400.6888 
Loop time of 29.2244 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.956 ns/day, 8.118 hours/ns, 34.218 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    | 28.815     | 28.815     | 28.815     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063027   | 0.063027   | 0.063027   |   0.0 |  0.22
Output  | 9.8249e-05 | 9.8249e-05 | 9.8249e-05 |   0.0 |  0.00
Modify  | 0.30251    | 0.30251    | 0.30251    |   0.0 |  1.04
Other   |            | 0.0441     |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704428.0 ave      704428 max      704428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704428
Ave neighs/atom = 176.10700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.681934605956, Press = -0.136906266482034
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -17370.578   -17370.578   -17542.823   -17542.823    333.21969    333.21969    44244.581    44244.581   -2400.6888   -2400.6888 
   40000     -17376.5     -17376.5   -17551.007   -17551.007    337.59584    337.59584    44128.103    44128.103    1322.7957    1322.7957 
Loop time of 29.0847 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.971 ns/day, 8.079 hours/ns, 34.382 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    | 28.682     | 28.682     | 28.682     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06248    | 0.06248    | 0.06248    |   0.0 |  0.21
Output  | 0.00015516 | 0.00015516 | 0.00015516 |   0.0 |  0.00
Modify  | 0.29824    | 0.29824    | 0.29824    |   0.0 |  1.03
Other   |            | 0.04154    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703052.0 ave      703052 max      703052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703052
Ave neighs/atom = 175.76300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.73407285602, Press = 1.45780136546616
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000     -17376.5     -17376.5   -17551.007   -17551.007    337.59584    337.59584    44128.103    44128.103    1322.7957    1322.7957 
   41000   -17363.419   -17363.419   -17540.538   -17540.538    342.64908    342.64908    44228.286    44228.286   -1562.2396   -1562.2396 
Loop time of 28.9448 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.985 ns/day, 8.040 hours/ns, 34.549 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    | 28.546     | 28.546     | 28.546     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062175   | 0.062175   | 0.062175   |   0.0 |  0.21
Output  | 9.7255e-05 | 9.7255e-05 | 9.7255e-05 |   0.0 |  0.00
Modify  | 0.29502    | 0.29502    | 0.29502    |   0.0 |  1.02
Other   |            | 0.04135    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704072.0 ave      704072 max      704072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704072
Ave neighs/atom = 176.01800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.806060962415, Press = 0.649436727378186
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -17363.419   -17363.419   -17540.538   -17540.538    342.64908    342.64908    44228.286    44228.286   -1562.2396   -1562.2396 
   42000   -17376.236   -17376.236   -17546.732   -17546.732    329.83584    329.83584    44125.831    44125.831    1605.7585    1605.7585 
Loop time of 29.2583 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.953 ns/day, 8.127 hours/ns, 34.178 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    | 28.85      | 28.85      | 28.85      |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063084   | 0.063084   | 0.063084   |   0.0 |  0.22
Output  | 9.6407e-05 | 9.6407e-05 | 9.6407e-05 |   0.0 |  0.00
Modify  | 0.30245    | 0.30245    | 0.30245    |   0.0 |  1.03
Other   |            | 0.04253    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703098.0 ave      703098 max      703098 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703098
Ave neighs/atom = 175.77450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.865817363972, Press = 0.856639968292293
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -17376.236   -17376.236   -17546.732   -17546.732    329.83584    329.83584    44125.831    44125.831    1605.7585    1605.7585 
   43000   -17379.845   -17379.845   -17551.226   -17551.226    331.54779    331.54779    44223.381    44223.381   -2283.0203   -2283.0203 
Loop time of 29.9102 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.889 ns/day, 8.308 hours/ns, 33.433 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    | 29.487     | 29.487     | 29.487     |   0.0 | 98.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064451   | 0.064451   | 0.064451   |   0.0 |  0.22
Output  | 8.1884e-05 | 8.1884e-05 | 8.1884e-05 |   0.0 |  0.00
Modify  | 0.31538    | 0.31538    | 0.31538    |   0.0 |  1.05
Other   |            | 0.04357    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703936.0 ave      703936 max      703936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703936
Ave neighs/atom = 175.98400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.847753081025, Press = 0.890122512729634
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -17379.845   -17379.845   -17551.226   -17551.226    331.54779    331.54779    44223.381    44223.381   -2283.0203   -2283.0203 
   44000   -17377.008   -17377.008   -17548.494   -17548.494    331.75198    331.75198    44090.919    44090.919    2870.2071    2870.2071 
Loop time of 29.502 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.929 ns/day, 8.195 hours/ns, 33.896 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    | 29.087     | 29.087     | 29.087     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06382    | 0.06382    | 0.06382    |   0.0 |  0.22
Output  | 8.2406e-05 | 8.2406e-05 | 8.2406e-05 |   0.0 |  0.00
Modify  | 0.30768    | 0.30768    | 0.30768    |   0.0 |  1.04
Other   |            | 0.04359    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703350.0 ave      703350 max      703350 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703350
Ave neighs/atom = 175.83750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.883498925559, Press = 0.357858582010035
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -17377.008   -17377.008   -17548.494   -17548.494    331.75198    331.75198    44090.919    44090.919    2870.2071    2870.2071 
   45000   -17372.716   -17372.716   -17547.126   -17547.126    337.40872    337.40872    44200.542    44200.542   -1099.6709   -1099.6709 
Loop time of 29.6478 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.914 ns/day, 8.236 hours/ns, 33.729 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    | 29.231     | 29.231     | 29.231     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063964   | 0.063964   | 0.063964   |   0.0 |  0.22
Output  | 0.00010284 | 0.00010284 | 0.00010284 |   0.0 |  0.00
Modify  | 0.31014    | 0.31014    | 0.31014    |   0.0 |  1.05
Other   |            | 0.04288    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704290.0 ave      704290 max      704290 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704290
Ave neighs/atom = 176.07250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.891032505536, Press = 1.29318132078209
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -17372.716   -17372.716   -17547.126   -17547.126    337.40872    337.40872    44200.542    44200.542   -1099.6709   -1099.6709 
   46000   -17376.836   -17376.836   -17548.968   -17548.968    333.00258    333.00258    44146.672    44146.672    688.93068    688.93068 
Loop time of 29.4922 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.930 ns/day, 8.192 hours/ns, 33.907 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    | 29.081     | 29.081     | 29.081     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063478   | 0.063478   | 0.063478   |   0.0 |  0.22
Output  | 7.8998e-05 | 7.8998e-05 | 7.8998e-05 |   0.0 |  0.00
Modify  | 0.3058     | 0.3058     | 0.3058     |   0.0 |  1.04
Other   |            | 0.04173    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703560.0 ave      703560 max      703560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703560
Ave neighs/atom = 175.89000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.920346188098, Press = 0.576260688311421
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -17376.836   -17376.836   -17548.968   -17548.968    333.00258    333.00258    44146.672    44146.672    688.93068    688.93068 
   47000    -17376.34    -17376.34   -17546.982   -17546.982    330.11894    330.11894    44175.629    44175.629   -223.48148   -223.48148 
Loop time of 29.6842 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.911 ns/day, 8.246 hours/ns, 33.688 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 29.267     | 29.267     | 29.267     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064132   | 0.064132   | 0.064132   |   0.0 |  0.22
Output  | 9.5991e-05 | 9.5991e-05 | 9.5991e-05 |   0.0 |  0.00
Modify  | 0.31003    | 0.31003    | 0.31003    |   0.0 |  1.04
Other   |            | 0.04266    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703958.0 ave      703958 max      703958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703958
Ave neighs/atom = 175.98950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.940549566515, Press = 1.09801089984342
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000    -17376.34    -17376.34   -17546.982   -17546.982    330.11894    330.11894    44175.629    44175.629   -223.48148   -223.48148 
   48000   -17373.005   -17373.005   -17545.586   -17545.586    333.86899    333.86899    44146.197    44146.197    989.91052    989.91052 
Loop time of 29.8377 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.896 ns/day, 8.288 hours/ns, 33.515 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    | 29.417     | 29.417     | 29.417     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06429    | 0.06429    | 0.06429    |   0.0 |  0.22
Output  | 9.1319e-05 | 9.1319e-05 | 9.1319e-05 |   0.0 |  0.00
Modify  | 0.31343    | 0.31343    | 0.31343    |   0.0 |  1.05
Other   |            | 0.04317    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703566.0 ave      703566 max      703566 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703566
Ave neighs/atom = 175.89150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.00025798351, Press = 0.426069919106675
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -17373.005   -17373.005   -17545.586   -17545.586    333.86899    333.86899    44146.197    44146.197    989.91052    989.91052 
   49000   -17375.717   -17375.717   -17550.101   -17550.101    337.35743    337.35743    44220.582    44220.582   -2098.7766   -2098.7766 
Loop time of 29.7384 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.905 ns/day, 8.261 hours/ns, 33.627 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    | 29.318     | 29.318     | 29.318     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064515   | 0.064515   | 0.064515   |   0.0 |  0.22
Output  | 7.9481e-05 | 7.9481e-05 | 7.9481e-05 |   0.0 |  0.00
Modify  | 0.31205    | 0.31205    | 0.31205    |   0.0 |  1.05
Other   |            | 0.04405    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704108.0 ave      704108 max      704108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704108
Ave neighs/atom = 176.02700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.021374960448, Press = 1.64092618609835
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -17375.717   -17375.717   -17550.101   -17550.101    337.35743    337.35743    44220.582    44220.582   -2098.7766   -2098.7766 
   50000   -17379.404   -17379.404   -17551.798   -17551.798    333.50834    333.50834    44121.627    44121.627    1424.3709    1424.3709 
Loop time of 29.4281 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.936 ns/day, 8.174 hours/ns, 33.981 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    | 29.018     | 29.018     | 29.018     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063254   | 0.063254   | 0.063254   |   0.0 |  0.21
Output  | 7.9101e-05 | 7.9101e-05 | 7.9101e-05 |   0.0 |  0.00
Modify  | 0.30446    | 0.30446    | 0.30446    |   0.0 |  1.03
Other   |            | 0.04244    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      703412.0 ave      703412 max      703412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 703412
Ave neighs/atom = 175.85300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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
44166.4426939549

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0