# 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 = 0.003 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 253.15*${_u_temperature}
variable temp_converted equal 253.15*1
variable Tdamp_converted equal 0.1*${_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 253.15 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 253.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 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  "253.15 - 0.2"
variable      T_up  equal  "253.15 + 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   -17597.543   -17597.543   -17728.399   -17728.399       253.15       253.15    43761.355    43761.355    3193.8255    3193.8255 
    1000   -17454.003   -17454.003    -17592.31    -17592.31     267.5645     267.5645    44122.865    44122.865   -2547.3318   -2547.3318 
Loop time of 29.7267 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.906 ns/day, 8.257 hours/ns, 33.640 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    | 29.306     | 29.306     | 29.306     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066355   | 0.066355   | 0.066355   |   0.0 |  0.22
Output  | 0.00031248 | 0.00031248 | 0.00031248 |   0.0 |  0.00
Modify  | 0.30325    | 0.30325    | 0.30325    |   0.0 |  1.02
Other   |            | 0.0506     |            |       |  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   -17454.003   -17454.003    -17592.31    -17592.31     267.5645     267.5645    44122.865    44122.865   -2547.3318   -2547.3318 
    2000   -17464.963   -17464.963   -17597.758   -17597.758    256.90126    256.90126     44031.46     44031.46    558.67414    558.67414 
Loop time of 29.5106 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.928 ns/day, 8.197 hours/ns, 33.886 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    | 29.113     | 29.113     | 29.113     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064416   | 0.064416   | 0.064416   |   0.0 |  0.22
Output  | 0.00013738 | 0.00013738 | 0.00013738 |   0.0 |  0.00
Modify  | 0.28914    | 0.28914    | 0.28914    |   0.0 |  0.98
Other   |            | 0.04398    |            |       |  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:      704196.0 ave      704196 max      704196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704196
Ave neighs/atom = 176.04900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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   -17464.963   -17464.963   -17597.758   -17597.758    256.90126    256.90126     44031.46     44031.46    558.67414    558.67414 
    3000   -17461.388   -17461.388   -17594.765   -17594.765    258.02838    258.02838    44047.654    44047.654     189.5201     189.5201 
Loop time of 29.3319 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.946 ns/day, 8.148 hours/ns, 34.093 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    | 28.943     | 28.943     | 28.943     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062591   | 0.062591   | 0.062591   |   0.0 |  0.21
Output  | 0.00014203 | 0.00014203 | 0.00014203 |   0.0 |  0.00
Modify  | 0.2843     | 0.2843     | 0.2843     |   0.0 |  0.97
Other   |            | 0.04226    |            |       |  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:      704588.0 ave      704588 max      704588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704588
Ave neighs/atom = 176.14700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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   -17461.388   -17461.388   -17594.765   -17594.765    258.02838    258.02838    44047.654    44047.654     189.5201     189.5201 
    4000   -17463.638   -17463.638   -17587.367   -17587.367    239.36228    239.36228    44066.745    44066.745   -245.20785   -245.20785 
Loop time of 29.345 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.944 ns/day, 8.151 hours/ns, 34.077 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    | 28.955     | 28.955     | 28.955     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063005   | 0.063005   | 0.063005   |   0.0 |  0.21
Output  | 9.8321e-05 | 9.8321e-05 | 9.8321e-05 |   0.0 |  0.00
Modify  | 0.28456    | 0.28456    | 0.28456    |   0.0 |  0.97
Other   |            | 0.04261    |            |       |  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:      704636.0 ave      704636 max      704636 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704636
Ave neighs/atom = 176.15900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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   -17463.638   -17463.638   -17587.367   -17587.367    239.36228    239.36228    44066.745    44066.745   -245.20785   -245.20785 
    5000   -17463.566   -17463.566   -17590.832   -17590.832     246.2046     246.2046    44010.413    44010.413    1775.6373    1775.6373 
Loop time of 29.487 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.930 ns/day, 8.191 hours/ns, 33.913 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    | 29.093     | 29.093     | 29.093     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063211   | 0.063211   | 0.063211   |   0.0 |  0.21
Output  | 0.00012265 | 0.00012265 | 0.00012265 |   0.0 |  0.00
Modify  | 0.28703    | 0.28703    | 0.28703    |   0.0 |  0.97
Other   |            | 0.0432     |            |       |  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:      704556.0 ave      704556 max      704556 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704556
Ave neighs/atom = 176.13900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.92622387952, Press = -418.486928920515
next a
jump SELF top
variable a loop 2000
run 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   -17463.566   -17463.566   -17590.832   -17590.832     246.2046     246.2046    44010.413    44010.413    1775.6373    1775.6373 
    6000    -17461.21    -17461.21   -17595.291   -17595.291    259.38865    259.38865    44080.516    44080.516   -1201.1788   -1201.1788 
Loop time of 29.4279 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.936 ns/day, 8.174 hours/ns, 33.981 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    | 29.024     | 29.024     | 29.024     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064421   | 0.064421   | 0.064421   |   0.0 |  0.22
Output  | 7.7207e-05 | 7.7207e-05 | 7.7207e-05 |   0.0 |  0.00
Modify  | 0.2959     | 0.2959     | 0.2959     |   0.0 |  1.01
Other   |            | 0.04393    |            |       |  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:      704876.0 ave      704876 max      704876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704876
Ave neighs/atom = 176.21900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.904689352128, Press = 24.5737802127297
next a
jump SELF top
variable a loop 2000
run 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    -17461.21    -17461.21   -17595.291   -17595.291    259.38865    259.38865    44080.516    44080.516   -1201.1788   -1201.1788 
    7000   -17463.904   -17463.904   -17595.885   -17595.885    255.32653    255.32653    44079.668    44079.668   -1169.9011   -1169.9011 
Loop time of 29.4448 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.934 ns/day, 8.179 hours/ns, 33.962 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    | 29.04      | 29.04      | 29.04      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063587   | 0.063587   | 0.063587   |   0.0 |  0.22
Output  | 0.00010847 | 0.00010847 | 0.00010847 |   0.0 |  0.00
Modify  | 0.29622    | 0.29622    | 0.29622    |   0.0 |  1.01
Other   |            | 0.04449    |            |       |  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:      704458.0 ave      704458 max      704458 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704458
Ave neighs/atom = 176.11450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.099488366216, Press = -38.140040005692
next a
jump SELF top
variable a loop 2000
run 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   -17463.904   -17463.904   -17595.885   -17595.885    255.32653    255.32653    44079.668    44079.668   -1169.9011   -1169.9011 
    8000   -17461.237   -17461.237   -17591.203   -17591.203    251.42791    251.42791    44032.244    44032.244    925.93247    925.93247 
Loop time of 29.508 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.928 ns/day, 8.197 hours/ns, 33.889 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    | 29.102     | 29.102     | 29.102     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063354   | 0.063354   | 0.063354   |   0.0 |  0.21
Output  | 7.3576e-05 | 7.3576e-05 | 7.3576e-05 |   0.0 |  0.00
Modify  | 0.29798    | 0.29798    | 0.29798    |   0.0 |  1.01
Other   |            | 0.04443    |            |       |  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:      704450.0 ave      704450 max      704450 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704450
Ave neighs/atom = 176.11250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.90634325081, Press = -5.90743856287343
next a
jump SELF top
variable a loop 2000
run 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   -17461.237   -17461.237   -17591.203   -17591.203    251.42791    251.42791    44032.244    44032.244    925.93247    925.93247 
    9000     -17466.3     -17466.3   -17595.695   -17595.695    250.32412    250.32412    44066.288    44066.288   -710.97896   -710.97896 
Loop time of 29.731 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.906 ns/day, 8.259 hours/ns, 33.635 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    | 29.317     | 29.317     | 29.317     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064506   | 0.064506   | 0.064506   |   0.0 |  0.22
Output  | 0.0001203  | 0.0001203  | 0.0001203  |   0.0 |  0.00
Modify  | 0.30249    | 0.30249    | 0.30249    |   0.0 |  1.02
Other   |            | 0.04674    |            |       |  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:      704680.0 ave      704680 max      704680 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704680
Ave neighs/atom = 176.17000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.652243279986, Press = -7.90078249073519
next a
jump SELF top
variable a loop 2000
run 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     -17466.3     -17466.3   -17595.695   -17595.695    250.32412    250.32412    44066.288    44066.288   -710.97896   -710.97896 
   10000   -17462.881   -17462.881   -17594.347   -17594.347    254.32998    254.32998    44038.222    44038.222    564.78193    564.78193 
Loop time of 29.4923 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.930 ns/day, 8.192 hours/ns, 33.907 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    | 29.087     | 29.087     | 29.087     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063782   | 0.063782   | 0.063782   |   0.0 |  0.22
Output  | 7.3613e-05 | 7.3613e-05 | 7.3613e-05 |   0.0 |  0.00
Modify  | 0.2964     | 0.2964     | 0.2964     |   0.0 |  1.01
Other   |            | 0.04498    |            |       |  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:      704472.0 ave      704472 max      704472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704472
Ave neighs/atom = 176.11800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.703447007718, Press = -10.0787191156878
next a
jump SELF top
variable a loop 2000
run 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   -17462.881   -17462.881   -17594.347   -17594.347    254.32998    254.32998    44038.222    44038.222    564.78193    564.78193 
   11000   -17459.844   -17459.844   -17591.087   -17591.087    253.90018    253.90018    44045.144    44045.144    489.38227    489.38227 
Loop time of 29.4469 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.934 ns/day, 8.180 hours/ns, 33.959 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    | 29.042     | 29.042     | 29.042     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064099   | 0.064099   | 0.064099   |   0.0 |  0.22
Output  | 0.00012017 | 0.00012017 | 0.00012017 |   0.0 |  0.00
Modify  | 0.29695    | 0.29695    | 0.29695    |   0.0 |  1.01
Other   |            | 0.04421    |            |       |  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:      704614.0 ave      704614 max      704614 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704614
Ave neighs/atom = 176.15350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.83393923891, Press = 1.9200007023963
next a
jump SELF top
variable a loop 2000
run 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   -17459.844   -17459.844   -17591.087   -17591.087    253.90018    253.90018    44045.144    44045.144    489.38227    489.38227 
   12000   -17463.124   -17463.124   -17594.981   -17594.981    255.08488    255.08488    44107.209    44107.209   -2179.5796   -2179.5796 
Loop time of 29.7926 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.900 ns/day, 8.276 hours/ns, 33.565 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    | 29.375     | 29.375     | 29.375     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065055   | 0.065055   | 0.065055   |   0.0 |  0.22
Output  | 8.0228e-05 | 8.0228e-05 | 8.0228e-05 |   0.0 |  0.00
Modify  | 0.30535    | 0.30535    | 0.30535    |   0.0 |  1.02
Other   |            | 0.04694    |            |       |  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:      704622.0 ave      704622 max      704622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704622
Ave neighs/atom = 176.15550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.927818082948, Press = -9.79651529822882
next a
jump SELF top
variable a loop 2000
run 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   -17463.124   -17463.124   -17594.981   -17594.981    255.08488    255.08488    44107.209    44107.209   -2179.5796   -2179.5796 
   13000   -17462.475   -17462.475   -17595.343   -17595.343    257.04209    257.04209    44003.262    44003.262     1756.391     1756.391 
Loop time of 29.6256 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.916 ns/day, 8.229 hours/ns, 33.755 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    | 29.215     | 29.215     | 29.215     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064466   | 0.064466   | 0.064466   |   0.0 |  0.22
Output  | 0.00011297 | 0.00011297 | 0.00011297 |   0.0 |  0.00
Modify  | 0.30103    | 0.30103    | 0.30103    |   0.0 |  1.02
Other   |            | 0.04535    |            |       |  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:      704392.0 ave      704392 max      704392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704392
Ave neighs/atom = 176.09800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.921383792673, Press = -4.14005467447784
next a
jump SELF top
variable a loop 2000
run 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   -17462.475   -17462.475   -17595.343   -17595.343    257.04209    257.04209    44003.262    44003.262     1756.391     1756.391 
   14000   -17460.888   -17460.888    -17591.97    -17591.97    253.58718    253.58718    44078.632    44078.632   -874.32155   -874.32155 
Loop time of 29.7742 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.902 ns/day, 8.271 hours/ns, 33.586 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    | 29.362     | 29.362     | 29.362     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064398   | 0.064398   | 0.064398   |   0.0 |  0.22
Output  | 7.503e-05  | 7.503e-05  | 7.503e-05  |   0.0 |  0.00
Modify  | 0.30236    | 0.30236    | 0.30236    |   0.0 |  1.02
Other   |            | 0.04494    |            |       |  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:      704802.0 ave      704802 max      704802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704802
Ave neighs/atom = 176.20050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.910120089951, Press = -0.3246653182563
next a
jump SELF top
variable a loop 2000
run 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   -17460.888   -17460.888    -17591.97    -17591.97    253.58718    253.58718    44078.632    44078.632   -874.32155   -874.32155 
   15000   -17461.863   -17461.863   -17592.964   -17592.964    253.62336    253.62336    44061.521    44061.521   -271.92196   -271.92196 
Loop time of 29.3209 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.947 ns/day, 8.145 hours/ns, 34.105 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.919     | 28.919     | 28.919     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063101   | 0.063101   | 0.063101   |   0.0 |  0.22
Output  | 0.00011522 | 0.00011522 | 0.00011522 |   0.0 |  0.00
Modify  | 0.29449    | 0.29449    | 0.29449    |   0.0 |  1.00
Other   |            | 0.04386    |            |       |  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:      704326.0 ave      704326 max      704326 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704326
Ave neighs/atom = 176.08150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.969076422047, Press = -6.85666999605976
next a
jump SELF top
variable a loop 2000
run 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   -17461.863   -17461.863   -17592.964   -17592.964    253.62336    253.62336    44061.521    44061.521   -271.92196   -271.92196 
   16000   -17464.198   -17464.198   -17592.378   -17592.378    247.97384    247.97384    44021.119    44021.119     1242.381     1242.381 
Loop time of 29.3323 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.946 ns/day, 8.148 hours/ns, 34.092 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    | 28.93      | 28.93      | 28.93      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063429   | 0.063429   | 0.063429   |   0.0 |  0.22
Output  | 7.5276e-05 | 7.5276e-05 | 7.5276e-05 |   0.0 |  0.00
Modify  | 0.29488    | 0.29488    | 0.29488    |   0.0 |  1.01
Other   |            | 0.04441    |            |       |  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:      704544.0 ave      704544 max      704544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704544
Ave neighs/atom = 176.13600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.996622505389, Press = -0.678314634350655
next a
jump SELF top
variable a loop 2000
run 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   -17464.198   -17464.198   -17592.378   -17592.378    247.97384    247.97384    44021.119    44021.119     1242.381     1242.381 
   17000   -17461.566   -17461.566   -17593.264   -17593.264    254.77887    254.77887    44095.263    44095.263   -1581.6911   -1581.6911 
Loop time of 29.4503 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.934 ns/day, 8.181 hours/ns, 33.955 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    | 29.046     | 29.046     | 29.046     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063155   | 0.063155   | 0.063155   |   0.0 |  0.21
Output  | 0.00010442 | 0.00010442 | 0.00010442 |   0.0 |  0.00
Modify  | 0.29491    | 0.29491    | 0.29491    |   0.0 |  1.00
Other   |            | 0.04602    |            |       |  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:      704602.0 ave      704602 max      704602 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704602
Ave neighs/atom = 176.15050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.919653225694, Press = -2.77294029774306
next a
jump SELF top
variable a loop 2000
run 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   -17461.566   -17461.566   -17593.264   -17593.264    254.77887    254.77887    44095.263    44095.263   -1581.6911   -1581.6911 
   18000    -17468.44    -17468.44   -17594.544   -17594.544    243.95698    243.95698    43996.958    43996.958    1984.6834    1984.6834 
Loop time of 29.2522 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.954 ns/day, 8.126 hours/ns, 34.185 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    | 28.856     | 28.856     | 28.856     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061325   | 0.061325   | 0.061325   |   0.0 |  0.21
Output  | 7.8651e-05 | 7.8651e-05 | 7.8651e-05 |   0.0 |  0.00
Modify  | 0.28749    | 0.28749    | 0.28749    |   0.0 |  0.98
Other   |            | 0.04725    |            |       |  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:      704296.0 ave      704296 max      704296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704296
Ave neighs/atom = 176.07400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.876744925805, Press = -4.06096942303242
next a
jump SELF top
variable a loop 2000
run 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    -17468.44    -17468.44   -17594.544   -17594.544    243.95698    243.95698    43996.958    43996.958    1984.6834    1984.6834 
   19000   -17460.955   -17460.955   -17591.775   -17591.775    253.08152    253.08152     44068.98     44068.98   -499.92115   -499.92115 
Loop time of 29.6423 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.915 ns/day, 8.234 hours/ns, 33.736 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    | 29.237     | 29.237     | 29.237     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062663   | 0.062663   | 0.062663   |   0.0 |  0.21
Output  | 9.9235e-05 | 9.9235e-05 | 9.9235e-05 |   0.0 |  0.00
Modify  | 0.29629    | 0.29629    | 0.29629    |   0.0 |  1.00
Other   |            | 0.04578    |            |       |  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:      704744.0 ave      704744 max      704744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704744
Ave neighs/atom = 176.18600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.808831071191, Press = 0.282589167152968
next a
jump SELF top
variable a loop 2000
run 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   -17460.955   -17460.955   -17591.775   -17591.775    253.08152    253.08152     44068.98     44068.98   -499.92115   -499.92115 
   20000   -17464.476   -17464.476   -17596.499   -17596.499    255.40814    255.40814    44062.193    44062.193   -531.53469   -531.53469 
Loop time of 29.1385 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.965 ns/day, 8.094 hours/ns, 34.319 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    | 28.751     | 28.751     | 28.751     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061103   | 0.061103   | 0.061103   |   0.0 |  0.21
Output  | 8.5388e-05 | 8.5388e-05 | 8.5388e-05 |   0.0 |  0.00
Modify  | 0.28522    | 0.28522    | 0.28522    |   0.0 |  0.98
Other   |            | 0.04084    |            |       |  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:      704508.0 ave      704508 max      704508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704508
Ave neighs/atom = 176.12700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.775197346754, Press = -4.67948437975166
next a
jump SELF top
variable a loop 2000
run 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   -17464.476   -17464.476   -17596.499   -17596.499    255.40814    255.40814    44062.193    44062.193   -531.53469   -531.53469 
   21000   -17461.475   -17461.475   -17593.407   -17593.407    255.23023    255.23023    44016.456    44016.456    1418.7159    1418.7159 
Loop time of 29.6636 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.913 ns/day, 8.240 hours/ns, 33.711 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    | 29.26      | 29.26      | 29.26      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06278    | 0.06278    | 0.06278    |   0.0 |  0.21
Output  | 9.9866e-05 | 9.9866e-05 | 9.9866e-05 |   0.0 |  0.00
Modify  | 0.29667    | 0.29667    | 0.29667    |   0.0 |  1.00
Other   |            | 0.04423    |            |       |  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:      704548.0 ave      704548 max      704548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704548
Ave neighs/atom = 176.13700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.753411875561, Press = -1.27464718288704
next a
jump SELF top
variable a loop 2000
run 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   -17461.475   -17461.475   -17593.407   -17593.407    255.23023    255.23023    44016.456    44016.456    1418.7159    1418.7159 
   22000   -17459.539   -17459.539   -17591.896   -17591.896    256.05408    256.05408    44101.184    44101.184   -1705.1908   -1705.1908 
Loop time of 29.1462 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.964 ns/day, 8.096 hours/ns, 34.310 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    | 28.763     | 28.763     | 28.763     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060878   | 0.060878   | 0.060878   |   0.0 |  0.21
Output  | 8.0839e-05 | 8.0839e-05 | 8.0839e-05 |   0.0 |  0.00
Modify  | 0.28371    | 0.28371    | 0.28371    |   0.0 |  0.97
Other   |            | 0.039      |            |       |  0.13

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:      704712.0 ave      704712 max      704712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704712
Ave neighs/atom = 176.17800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.751705828745, Press = -0.840581831493197
next a
jump SELF top
variable a loop 2000
run 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   -17459.539   -17459.539   -17591.896   -17591.896    256.05408    256.05408    44101.184    44101.184   -1705.1908   -1705.1908 
   23000   -17464.349   -17464.349   -17593.334   -17593.334     249.5302     249.5302    44024.888    44024.888    1023.1225    1023.1225 
Loop time of 28.984 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.981 ns/day, 8.051 hours/ns, 34.502 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    | 28.602     | 28.602     | 28.602     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060598   | 0.060598   | 0.060598   |   0.0 |  0.21
Output  | 9.4765e-05 | 9.4765e-05 | 9.4765e-05 |   0.0 |  0.00
Modify  | 0.28201    | 0.28201    | 0.28201    |   0.0 |  0.97
Other   |            | 0.03926    |            |       |  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:      704366.0 ave      704366 max      704366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704366
Ave neighs/atom = 176.09150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.768316518306, Press = -5.24659160340463
next a
jump SELF top
variable a loop 2000
run 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   -17464.349   -17464.349   -17593.334   -17593.334     249.5302     249.5302    44024.888    44024.888    1023.1225    1023.1225 
   24000   -17461.016   -17461.016   -17593.554   -17593.554    256.40406    256.40406    44034.548    44034.548    768.82907    768.82907 
Loop time of 29.1077 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.968 ns/day, 8.085 hours/ns, 34.355 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    | 28.723     | 28.723     | 28.723     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060619   | 0.060619   | 0.060619   |   0.0 |  0.21
Output  | 0.00010021 | 0.00010021 | 0.00010021 |   0.0 |  0.00
Modify  | 0.28404    | 0.28404    | 0.28404    |   0.0 |  0.98
Other   |            | 0.03952    |            |       |  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:      704570.0 ave      704570 max      704570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704570
Ave neighs/atom = 176.14250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.781285075233, Press = 0.901487070079249
next a
jump SELF top
variable a loop 2000
run 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   -17461.016   -17461.016   -17593.554   -17593.554    256.40406    256.40406    44034.548    44034.548    768.82907    768.82907 
   25000   -17464.024   -17464.024   -17593.622   -17593.622     250.7161     250.7161    44061.861    44061.861   -414.56881   -414.56881 
Loop time of 28.9304 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.986 ns/day, 8.036 hours/ns, 34.566 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    | 28.549     | 28.549     | 28.549     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060637   | 0.060637   | 0.060637   |   0.0 |  0.21
Output  | 0.00010251 | 0.00010251 | 0.00010251 |   0.0 |  0.00
Modify  | 0.28162    | 0.28162    | 0.28162    |   0.0 |  0.97
Other   |            | 0.03902    |            |       |  0.13

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:      704530.0 ave      704530 max      704530 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704530
Ave neighs/atom = 176.13250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.880266166592, Press = -1.98290533285874
next a
jump SELF top
variable a loop 2000
run 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   -17464.024   -17464.024   -17593.622   -17593.622     250.7161     250.7161    44061.861    44061.861   -414.56881   -414.56881 
   26000    -17459.53    -17459.53   -17595.048   -17595.048    262.16857    262.16857     44050.87     44050.87    75.240259    75.240259 
Loop time of 28.9054 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.989 ns/day, 8.029 hours/ns, 34.596 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    | 28.526     | 28.526     | 28.526     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060222   | 0.060222   | 0.060222   |   0.0 |  0.21
Output  | 0.00010344 | 0.00010344 | 0.00010344 |   0.0 |  0.00
Modify  | 0.27981    | 0.27981    | 0.27981    |   0.0 |  0.97
Other   |            | 0.03883    |            |       |  0.13

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:      704452.0 ave      704452 max      704452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704452
Ave neighs/atom = 176.11300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.923016226147, Press = -2.1856131325911
next a
jump SELF top
variable a loop 2000
run 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    -17459.53    -17459.53   -17595.048   -17595.048    262.16857    262.16857     44050.87     44050.87    75.240259    75.240259 
   27000   -17460.428   -17460.428   -17593.546   -17593.546     257.5275     257.5275    44055.757    44055.757   -67.567289   -67.567289 
Loop time of 28.9387 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.986 ns/day, 8.039 hours/ns, 34.556 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    | 28.559     | 28.559     | 28.559     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060139   | 0.060139   | 0.060139   |   0.0 |  0.21
Output  | 0.00010463 | 0.00010463 | 0.00010463 |   0.0 |  0.00
Modify  | 0.28033    | 0.28033    | 0.28033    |   0.0 |  0.97
Other   |            | 0.03877    |            |       |  0.13

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:      704414.0 ave      704414 max      704414 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704414
Ave neighs/atom = 176.10350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.904043338624, Press = -0.0274002918306597
next a
jump SELF top
variable a loop 2000
run 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   -17460.428   -17460.428   -17593.546   -17593.546     257.5275     257.5275    44055.757    44055.757   -67.567289   -67.567289 
   28000   -17466.531   -17466.531   -17594.518   -17594.518    247.59999    247.59999    44086.523    44086.523   -1506.9804   -1506.9804 
Loop time of 28.9069 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.989 ns/day, 8.030 hours/ns, 34.594 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    | 28.529     | 28.529     | 28.529     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060141   | 0.060141   | 0.060141   |   0.0 |  0.21
Output  | 7.5896e-05 | 7.5896e-05 | 7.5896e-05 |   0.0 |  0.00
Modify  | 0.27927    | 0.27927    | 0.27927    |   0.0 |  0.97
Other   |            | 0.03863    |            |       |  0.13

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:      704420.0 ave      704420 max      704420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704420
Ave neighs/atom = 176.10500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.876394436774, Press = -3.23777274200415
next a
jump SELF top
variable a loop 2000
run 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   -17466.531   -17466.531   -17594.518   -17594.518    247.59999    247.59999    44086.523    44086.523   -1506.9804   -1506.9804 
   29000   -17464.571   -17464.571   -17596.068   -17596.068    254.38882    254.38882    43988.014    43988.014    2372.6687    2372.6687 
Loop time of 28.8573 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.994 ns/day, 8.016 hours/ns, 34.653 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    | 28.48      | 28.48      | 28.48      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060016   | 0.060016   | 0.060016   |   0.0 |  0.21
Output  | 0.00010377 | 0.00010377 | 0.00010377 |   0.0 |  0.00
Modify  | 0.27851    | 0.27851    | 0.27851    |   0.0 |  0.97
Other   |            | 0.03872    |            |       |  0.13

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:      704292.0 ave      704292 max      704292 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704292
Ave neighs/atom = 176.07300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.860292505532, Press = -0.693347801456815
next a
jump SELF top
variable a loop 2000
run 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   -17464.571   -17464.571   -17596.068   -17596.068    254.38882    254.38882    43988.014    43988.014    2372.6687    2372.6687 
   30000    -17458.03    -17458.03   -17591.132   -17591.132    257.49498    257.49498    44072.403    44072.403   -525.66185   -525.66185 
Loop time of 29.3625 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.943 ns/day, 8.156 hours/ns, 34.057 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    | 28.968     | 28.968     | 28.968     |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061949   | 0.061949   | 0.061949   |   0.0 |  0.21
Output  | 8.1747e-05 | 8.1747e-05 | 8.1747e-05 |   0.0 |  0.00
Modify  | 0.2908     | 0.2908     | 0.2908     |   0.0 |  0.99
Other   |            | 0.04175    |            |       |  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:      704600.0 ave      704600 max      704600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704600
Ave neighs/atom = 176.15000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.911576695817, Press = -0.835008104628854
next a
jump SELF top
variable a loop 2000
run 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    -17458.03    -17458.03   -17591.132   -17591.132    257.49498    257.49498    44072.403    44072.403   -525.66185   -525.66185 
   31000   -17460.283   -17460.283   -17592.344   -17592.344    255.48119    255.48119     44055.07     44055.07   -6.7509638   -6.7509638 
Loop time of 28.9676 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.983 ns/day, 8.047 hours/ns, 34.521 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    | 28.584     | 28.584     | 28.584     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060607   | 0.060607   | 0.060607   |   0.0 |  0.21
Output  | 9.7313e-05 | 9.7313e-05 | 9.7313e-05 |   0.0 |  0.00
Modify  | 0.28313    | 0.28313    | 0.28313    |   0.0 |  0.98
Other   |            | 0.04007    |            |       |  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:      704348.0 ave      704348 max      704348 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704348
Ave neighs/atom = 176.08700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.92846499927, Press = -1.68826146077969
next a
jump SELF top
variable a loop 2000
run 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   -17460.283   -17460.283   -17592.344   -17592.344    255.48119    255.48119     44055.07     44055.07   -6.7509638   -6.7509638 
   32000   -17465.206   -17465.206   -17595.282   -17595.282    251.64184    251.64184    44022.676    44022.676     1042.817     1042.817 
Loop time of 29.4935 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.929 ns/day, 8.193 hours/ns, 33.906 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    | 29.094     | 29.094     | 29.094     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062244   | 0.062244   | 0.062244   |   0.0 |  0.21
Output  | 7.9897e-05 | 7.9897e-05 | 7.9897e-05 |   0.0 |  0.00
Modify  | 0.29478    | 0.29478    | 0.29478    |   0.0 |  1.00
Other   |            | 0.04274    |            |       |  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:      704556.0 ave      704556 max      704556 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704556
Ave neighs/atom = 176.13900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.906565362241, Press = -0.671490103206557
next a
jump SELF top
variable a loop 2000
run 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   -17465.206   -17465.206   -17595.282   -17595.282    251.64184    251.64184    44022.676    44022.676     1042.817     1042.817 
   33000   -17463.131   -17463.131   -17593.343   -17593.343    251.90338    251.90338    44089.509    44089.509   -1422.8137   -1422.8137 
Loop time of 29.0064 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.979 ns/day, 8.057 hours/ns, 34.475 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 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06067    | 0.06067    | 0.06067    |   0.0 |  0.21
Output  | 0.00010106 | 0.00010106 | 0.00010106 |   0.0 |  0.00
Modify  | 0.28202    | 0.28202    | 0.28202    |   0.0 |  0.97
Other   |            | 0.03971    |            |       |  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:      704620.0 ave      704620 max      704620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704620
Ave neighs/atom = 176.15500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.882119270464, Press = -0.103210031940449
next a
jump SELF top
variable a loop 2000
run 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   -17463.131   -17463.131   -17593.343   -17593.343    251.90338    251.90338    44089.509    44089.509   -1422.8137   -1422.8137 
   34000   -17458.966   -17458.966   -17592.458   -17592.458    258.24922    258.24922    44055.901    44055.901     42.05579     42.05579 
Loop time of 30.003 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.880 ns/day, 8.334 hours/ns, 33.330 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    | 29.584     | 29.584     | 29.584     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063615   | 0.063615   | 0.063615   |   0.0 |  0.21
Output  | 7.4168e-05 | 7.4168e-05 | 7.4168e-05 |   0.0 |  0.00
Modify  | 0.30917    | 0.30917    | 0.30917    |   0.0 |  1.03
Other   |            | 0.04615    |            |       |  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:      704382.0 ave      704382 max      704382 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704382
Ave neighs/atom = 176.09550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.869174097867, Press = -3.32261539570867
next a
jump SELF top
variable a loop 2000
run 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   -17458.966   -17458.966   -17592.458   -17592.458    258.24922    258.24922    44055.901    44055.901     42.05579     42.05579 
   35000   -17465.071   -17465.071   -17595.471   -17595.471    252.26809    252.26809    44024.511    44024.511    978.60594    978.60594 
Loop time of 29.609 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.918 ns/day, 8.225 hours/ns, 33.774 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    | 29.205     | 29.205     | 29.205     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062376   | 0.062376   | 0.062376   |   0.0 |  0.21
Output  | 0.0001953  | 0.0001953  | 0.0001953  |   0.0 |  0.00
Modify  | 0.29812    | 0.29812    | 0.29812    |   0.0 |  1.01
Other   |            | 0.04375    |            |       |  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:      704418.0 ave      704418 max      704418 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704418
Ave neighs/atom = 176.10450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.870057981335, Press = 0.16192925803756
next a
jump SELF top
variable a loop 2000
run 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   -17465.071   -17465.071   -17595.471   -17595.471    252.26809    252.26809    44024.511    44024.511    978.60594    978.60594 
   36000   -17461.032   -17461.032   -17593.189   -17593.189    255.66782    255.66782    44067.058    44067.058   -477.73345   -477.73345 
Loop time of 29.7303 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.906 ns/day, 8.258 hours/ns, 33.636 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    | 29.322     | 29.322     | 29.322     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063065   | 0.063065   | 0.063065   |   0.0 |  0.21
Output  | 7.5884e-05 | 7.5884e-05 | 7.5884e-05 |   0.0 |  0.00
Modify  | 0.30092    | 0.30092    | 0.30092    |   0.0 |  1.01
Other   |            | 0.04422    |            |       |  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:      704516.0 ave      704516 max      704516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704516
Ave neighs/atom = 176.12900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.852465954824, Press = -1.08334126018944
next a
jump SELF top
variable a loop 2000
run 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   -17461.032   -17461.032   -17593.189   -17593.189    255.66782    255.66782    44067.058    44067.058   -477.73345   -477.73345 
   37000   -17467.136   -17467.136   -17595.998   -17595.998    249.29147    249.29147    44033.796    44033.796    441.79343    441.79343 
Loop time of 30.2078 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.860 ns/day, 8.391 hours/ns, 33.104 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    | 29.779     | 29.779     | 29.779     |   0.0 | 98.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064974   | 0.064974   | 0.064974   |   0.0 |  0.22
Output  | 9.6405e-05 | 9.6405e-05 | 9.6405e-05 |   0.0 |  0.00
Modify  | 0.31501    | 0.31501    | 0.31501    |   0.0 |  1.04
Other   |            | 0.04828    |            |       |  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:      704504.0 ave      704504 max      704504 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704504
Ave neighs/atom = 176.12600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.819273809055, Press = -1.34122578957965
next a
jump SELF top
variable a loop 2000
run 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   -17467.136   -17467.136   -17595.998   -17595.998    249.29147    249.29147    44033.796    44033.796    441.79343    441.79343 
   38000   -17462.041   -17462.041   -17593.502   -17593.502    254.32106    254.32106    44059.077    44059.077   -196.73976   -196.73976 
Loop time of 29.2806 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.951 ns/day, 8.134 hours/ns, 34.152 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    | 28.885     | 28.885     | 28.885     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061597   | 0.061597   | 0.061597   |   0.0 |  0.21
Output  | 0.00019974 | 0.00019974 | 0.00019974 |   0.0 |  0.00
Modify  | 0.29236    | 0.29236    | 0.29236    |   0.0 |  1.00
Other   |            | 0.04184    |            |       |  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:      704570.0 ave      704570 max      704570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704570
Ave neighs/atom = 176.14250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.811702578584, Press = -0.25485306738931
next a
jump SELF top
variable a loop 2000
run 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   -17462.041   -17462.041   -17593.502   -17593.502    254.32106    254.32106    44059.077    44059.077   -196.73976   -196.73976 
   39000   -17466.258   -17466.258   -17594.137   -17594.137    247.39008    247.39008    44072.987    44072.987   -888.18125   -888.18125 
Loop time of 29.04 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.975 ns/day, 8.067 hours/ns, 34.435 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    | 28.654     | 28.654     | 28.654     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060753   | 0.060753   | 0.060753   |   0.0 |  0.21
Output  | 9.9863e-05 | 9.9863e-05 | 9.9863e-05 |   0.0 |  0.00
Modify  | 0.28461    | 0.28461    | 0.28461    |   0.0 |  0.98
Other   |            | 0.04033    |            |       |  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:      704578.0 ave      704578 max      704578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704578
Ave neighs/atom = 176.14450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.780637550526, Press = -2.14837422576805
next a
jump SELF top
variable a loop 2000
run 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   -17466.258   -17466.258   -17594.137   -17594.137    247.39008    247.39008    44072.987    44072.987   -888.18125   -888.18125 
   40000   -17461.756   -17461.756   -17591.558   -17591.558     251.1097     251.1097    43993.919    43993.919    2422.0198    2422.0198 
Loop time of 29.0166 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.978 ns/day, 8.060 hours/ns, 34.463 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    | 28.628     | 28.628     | 28.628     |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061093   | 0.061093   | 0.061093   |   0.0 |  0.21
Output  | 0.00010063 | 0.00010063 | 0.00010063 |   0.0 |  0.00
Modify  | 0.28669    | 0.28669    | 0.28669    |   0.0 |  0.99
Other   |            | 0.0404     |            |       |  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:      704496.0 ave      704496 max      704496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704496
Ave neighs/atom = 176.12400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.779427508584, Press = -0.498492798488209
next a
jump SELF top
variable a loop 2000
run 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   -17461.756   -17461.756   -17591.558   -17591.558     251.1097     251.1097    43993.919    43993.919    2422.0198    2422.0198 
   41000   -17462.965   -17462.965   -17594.526   -17594.526    254.51327    254.51327    44082.625    44082.625   -1273.4937   -1273.4937 
Loop time of 29.0169 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.978 ns/day, 8.060 hours/ns, 34.463 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    | 28.632     | 28.632     | 28.632     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060641   | 0.060641   | 0.060641   |   0.0 |  0.21
Output  | 9.965e-05  | 9.965e-05  | 9.965e-05  |   0.0 |  0.00
Modify  | 0.2842     | 0.2842     | 0.2842     |   0.0 |  0.98
Other   |            | 0.03984    |            |       |  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:      704846.0 ave      704846 max      704846 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704846
Ave neighs/atom = 176.21150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.77433573245, Press = -0.469103852183837
next a
jump SELF top
variable a loop 2000
run 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   -17462.965   -17462.965   -17594.526   -17594.526    254.51327    254.51327    44082.625    44082.625   -1273.4937   -1273.4937 
   42000   -17465.823   -17465.823   -17592.254   -17592.254     244.5888     244.5888    44046.185    44046.185    234.16611    234.16611 
Loop time of 28.7548 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.005 ns/day, 7.987 hours/ns, 34.777 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    | 28.377     | 28.377     | 28.377     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059999   | 0.059999   | 0.059999   |   0.0 |  0.21
Output  | 9.9461e-05 | 9.9461e-05 | 9.9461e-05 |   0.0 |  0.00
Modify  | 0.27926    | 0.27926    | 0.27926    |   0.0 |  0.97
Other   |            | 0.03865    |            |       |  0.13

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:      704464.0 ave      704464 max      704464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704464
Ave neighs/atom = 176.11600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.7823937031, Press = -1.23519307995888
next a
jump SELF top
variable a loop 2000
run 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   -17465.823   -17465.823   -17592.254   -17592.254     244.5888     244.5888    44046.185    44046.185    234.16611    234.16611 
   43000    -17461.57    -17461.57   -17593.548   -17593.548    255.32143    255.32143    44057.194    44057.194   -137.74402   -137.74402 
Loop time of 28.734 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.007 ns/day, 7.982 hours/ns, 34.802 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    | 28.357     | 28.357     | 28.357     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059897   | 0.059897   | 0.059897   |   0.0 |  0.21
Output  | 9.9023e-05 | 9.9023e-05 | 9.9023e-05 |   0.0 |  0.00
Modify  | 0.27843    | 0.27843    | 0.27843    |   0.0 |  0.97
Other   |            | 0.03827    |            |       |  0.13

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:      704716.0 ave      704716 max      704716 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704716
Ave neighs/atom = 176.17900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.788602259555, Press = -0.431981518910939
next a
jump SELF top
variable a loop 2000
run 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    -17461.57    -17461.57   -17593.548   -17593.548    255.32143    255.32143    44057.194    44057.194   -137.74402   -137.74402 
   44000   -17461.848   -17461.848   -17595.666   -17595.666    258.88022    258.88022    44071.417    44071.417   -840.30958   -840.30958 
Loop time of 28.7455 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.006 ns/day, 7.985 hours/ns, 34.788 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    | 28.367     | 28.367     | 28.367     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060001   | 0.060001   | 0.060001   |   0.0 |  0.21
Output  | 7.5532e-05 | 7.5532e-05 | 7.5532e-05 |   0.0 |  0.00
Modify  | 0.27969    | 0.27969    | 0.27969    |   0.0 |  0.97
Other   |            | 0.03841    |            |       |  0.13

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:      704420.0 ave      704420 max      704420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704420
Ave neighs/atom = 176.10500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.821598259332, Press = -1.41526676033919
next a
jump SELF top
variable a loop 2000
run 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   -17461.848   -17461.848   -17595.666   -17595.666    258.88022    258.88022    44071.417    44071.417   -840.30958   -840.30958 
   45000   -17459.866   -17459.866   -17593.514   -17593.514    258.55211    258.55211    43999.712    43999.712    2108.8695    2108.8695 
Loop time of 28.7135 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.009 ns/day, 7.976 hours/ns, 34.827 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    | 28.336     | 28.336     | 28.336     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060201   | 0.060201   | 0.060201   |   0.0 |  0.21
Output  | 8.5328e-05 | 8.5328e-05 | 8.5328e-05 |   0.0 |  0.00
Modify  | 0.27886    | 0.27886    | 0.27886    |   0.0 |  0.97
Other   |            | 0.03809    |            |       |  0.13

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:      704382.0 ave      704382 max      704382 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704382
Ave neighs/atom = 176.09550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.824754914461, Press = -0.0613901996661537
next a
jump SELF top
variable a loop 2000
run 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   -17459.866   -17459.866   -17593.514   -17593.514    258.55211    258.55211    43999.712    43999.712    2108.8695    2108.8695 
   46000   -17464.102   -17464.102   -17594.398   -17594.398    252.06757    252.06757    44111.367    44111.367   -2291.5521   -2291.5521 
Loop time of 28.7224 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.008 ns/day, 7.978 hours/ns, 34.816 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    | 28.347     | 28.347     | 28.347     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05957    | 0.05957    | 0.05957    |   0.0 |  0.21
Output  | 7.6939e-05 | 7.6939e-05 | 7.6939e-05 |   0.0 |  0.00
Modify  | 0.27735    | 0.27735    | 0.27735    |   0.0 |  0.97
Other   |            | 0.03792    |            |       |  0.13

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:      704744.0 ave      704744 max      704744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704744
Ave neighs/atom = 176.18600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.855625934775, Press = -0.204432624586958
next a
jump SELF top
variable a loop 2000
run 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   -17464.102   -17464.102   -17594.398   -17594.398    252.06757    252.06757    44111.367    44111.367   -2291.5521   -2291.5521 
   47000   -17464.192   -17464.192   -17592.931   -17592.931    249.05417    249.05417    44039.687    44039.687    526.06506    526.06506 
Loop time of 28.829 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.997 ns/day, 8.008 hours/ns, 34.687 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    | 28.448     | 28.448     | 28.448     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060342   | 0.060342   | 0.060342   |   0.0 |  0.21
Output  | 7.9932e-05 | 7.9932e-05 | 7.9932e-05 |   0.0 |  0.00
Modify  | 0.28161    | 0.28161    | 0.28161    |   0.0 |  0.98
Other   |            | 0.03914    |            |       |  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:      704394.0 ave      704394 max      704394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704394
Ave neighs/atom = 176.09850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.864234977833, Press = -1.61589721705121
next a
jump SELF top
variable a loop 2000
run 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   -17464.192   -17464.192   -17592.931   -17592.931    249.05417    249.05417    44039.687    44039.687    526.06506    526.06506 
   48000   -17463.322   -17463.322    -17594.17    -17594.17    253.13383    253.13383    44039.876    44039.876    448.06414    448.06414 
Loop time of 28.8348 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.996 ns/day, 8.010 hours/ns, 34.680 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    | 28.456     | 28.456     | 28.456     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060121   | 0.060121   | 0.060121   |   0.0 |  0.21
Output  | 0.00012537 | 0.00012537 | 0.00012537 |   0.0 |  0.00
Modify  | 0.27989    | 0.27989    | 0.27989    |   0.0 |  0.97
Other   |            | 0.03832    |            |       |  0.13

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:      704630.0 ave      704630 max      704630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704630
Ave neighs/atom = 176.15750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.863910022216, Press = 0.10586840104103
next a
jump SELF top
variable a loop 2000
run 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   -17463.322   -17463.322    -17594.17    -17594.17    253.13383    253.13383    44039.876    44039.876    448.06414    448.06414 
   49000   -17464.153   -17464.153   -17594.168   -17594.168    251.52342    251.52342    44080.451    44080.451   -1121.1972   -1121.1972 
Loop time of 28.8391 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.996 ns/day, 8.011 hours/ns, 34.675 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    | 28.461     | 28.461     | 28.461     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060403   | 0.060403   | 0.060403   |   0.0 |  0.21
Output  | 8.1503e-05 | 8.1503e-05 | 8.1503e-05 |   0.0 |  0.00
Modify  | 0.27979    | 0.27979    | 0.27979    |   0.0 |  0.97
Other   |            | 0.03833    |            |       |  0.13

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:      704648.0 ave      704648 max      704648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704648
Ave neighs/atom = 176.16200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.831464329187, Press = -1.08663480414172
next a
jump SELF top
variable a loop 2000
run 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   -17464.153   -17464.153   -17594.168   -17594.168    251.52342    251.52342    44080.451    44080.451   -1121.1972   -1121.1972 
   50000   -17463.314   -17463.314    -17594.28    -17594.28    253.36308    253.36308    44014.118    44014.118    1525.2049    1525.2049 
Loop time of 28.7876 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.001 ns/day, 7.997 hours/ns, 34.737 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    | 28.411     | 28.411     | 28.411     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06019    | 0.06019    | 0.06019    |   0.0 |  0.21
Output  | 0.00010662 | 0.00010662 | 0.00010662 |   0.0 |  0.00
Modify  | 0.2787     | 0.2787     | 0.2787     |   0.0 |  0.97
Other   |            | 0.03797    |            |       |  0.13

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:      704458.0 ave      704458 max      704458 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704458
Ave neighs/atom = 176.11450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.833197028124, Press = -0.819811184439624
next a
jump SELF top
variable a loop 2000
run 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 
   50000   -17463.314   -17463.314    -17594.28    -17594.28    253.36308    253.36308    44014.118    44014.118    1525.2049    1525.2049 
   51000   -17464.396   -17464.396   -17594.517   -17594.517    251.72744    251.72744    44086.204    44086.204   -1401.5787   -1401.5787 
Loop time of 28.9589 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.984 ns/day, 8.044 hours/ns, 34.532 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    | 28.577     | 28.577     | 28.577     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060566   | 0.060566   | 0.060566   |   0.0 |  0.21
Output  | 7.8201e-05 | 7.8201e-05 | 7.8201e-05 |   0.0 |  0.00
Modify  | 0.28235    | 0.28235    | 0.28235    |   0.0 |  0.97
Other   |            | 0.03893    |            |       |  0.13

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:      704742.0 ave      704742 max      704742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704742
Ave neighs/atom = 176.18550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.798151895267, Press = 0.520402379644715
next a
jump SELF top
variable a loop 2000
run 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 
   51000   -17464.396   -17464.396   -17594.517   -17594.517    251.72744    251.72744    44086.204    44086.204   -1401.5787   -1401.5787 
   52000   -17464.729   -17464.729    -17593.67    -17593.67    249.44428    249.44428    44080.506    44080.506   -1164.8344   -1164.8344 
Loop time of 28.8808 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.992 ns/day, 8.022 hours/ns, 34.625 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    | 28.5       | 28.5       | 28.5       |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060387   | 0.060387   | 0.060387   |   0.0 |  0.21
Output  | 0.00010417 | 0.00010417 | 0.00010417 |   0.0 |  0.00
Modify  | 0.28185    | 0.28185    | 0.28185    |   0.0 |  0.98
Other   |            | 0.03859    |            |       |  0.13

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:      704440.0 ave      704440 max      704440 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704440
Ave neighs/atom = 176.11000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.793575719878, Press = -2.66866888654931
next a
jump SELF top
variable a loop 2000
run 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 
   52000   -17464.729   -17464.729    -17593.67    -17593.67    249.44428    249.44428    44080.506    44080.506   -1164.8344   -1164.8344 
   53000   -17461.696   -17461.696   -17592.828   -17592.828     253.6843     253.6843    44015.921    44015.921    1487.4626    1487.4626 
Loop time of 28.7913 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.001 ns/day, 7.998 hours/ns, 34.733 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    | 28.413     | 28.413     | 28.413     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059902   | 0.059902   | 0.059902   |   0.0 |  0.21
Output  | 7.539e-05  | 7.539e-05  | 7.539e-05  |   0.0 |  0.00
Modify  | 0.27958    | 0.27958    | 0.27958    |   0.0 |  0.97
Other   |            | 0.0384     |            |       |  0.13

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:      704544.0 ave      704544 max      704544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704544
Ave neighs/atom = 176.13600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.785726953776, Press = -0.0150014786393481
next a
jump SELF top
variable a loop 2000
run 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 
   53000   -17461.696   -17461.696   -17592.828   -17592.828     253.6843     253.6843    44015.921    44015.921    1487.4626    1487.4626 
   54000   -17467.256   -17467.256   -17595.885   -17595.885    248.84085    248.84085    44078.355    44078.355   -1218.7397   -1218.7397 
Loop time of 28.7308 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.007 ns/day, 7.981 hours/ns, 34.806 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    | 28.353     | 28.353     | 28.353     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059941   | 0.059941   | 0.059941   |   0.0 |  0.21
Output  | 9.8381e-05 | 9.8381e-05 | 9.8381e-05 |   0.0 |  0.00
Modify  | 0.27919    | 0.27919    | 0.27919    |   0.0 |  0.97
Other   |            | 0.03855    |            |       |  0.13

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:      704742.0 ave      704742 max      704742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704742
Ave neighs/atom = 176.18550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.767871021998, Press = -0.528986766813236
next a
jump SELF top
variable a loop 2000
run 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 
   54000   -17467.256   -17467.256   -17595.885   -17595.885    248.84085    248.84085    44078.355    44078.355   -1218.7397   -1218.7397 
   55000   -17463.701   -17463.701   -17596.178   -17596.178    256.28535    256.28535    44029.279    44029.279    761.39465    761.39465 
Loop time of 28.7793 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.002 ns/day, 7.994 hours/ns, 34.747 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    | 28.402     | 28.402     | 28.402     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05976    | 0.05976    | 0.05976    |   0.0 |  0.21
Output  | 7.4777e-05 | 7.4777e-05 | 7.4777e-05 |   0.0 |  0.00
Modify  | 0.27969    | 0.27969    | 0.27969    |   0.0 |  0.97
Other   |            | 0.03802    |            |       |  0.13

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:      704450.0 ave      704450 max      704450 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704450
Ave neighs/atom = 176.11250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.770474991331, Press = -0.742830968060684
next a
jump SELF top
variable a loop 2000
run 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 
   55000   -17463.701   -17463.701   -17596.178   -17596.178    256.28535    256.28535    44029.279    44029.279    761.39465    761.39465 
   56000    -17457.66    -17457.66   -17591.247   -17591.247    258.43286    258.43286     44074.04     44074.04   -557.57185   -557.57185 
Loop time of 28.8457 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.995 ns/day, 8.013 hours/ns, 34.667 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    | 28.468     | 28.468     | 28.468     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060231   | 0.060231   | 0.060231   |   0.0 |  0.21
Output  | 0.00010183 | 0.00010183 | 0.00010183 |   0.0 |  0.00
Modify  | 0.27977    | 0.27977    | 0.27977    |   0.0 |  0.97
Other   |            | 0.03803    |            |       |  0.13

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:      704662.0 ave      704662 max      704662 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704662
Ave neighs/atom = 176.16550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.797926755364, Press = 0.0668702627538516
next a
jump SELF top
variable a loop 2000
run 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 
   56000    -17457.66    -17457.66   -17591.247   -17591.247    258.43286    258.43286     44074.04     44074.04   -557.57185   -557.57185 
   57000   -17465.388   -17465.388   -17595.755   -17595.755    252.20401    252.20401    44081.298    44081.298   -1303.0523   -1303.0523 
Loop time of 28.8534 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.994 ns/day, 8.015 hours/ns, 34.658 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.475     | 28.475     | 28.475     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060133   | 0.060133   | 0.060133   |   0.0 |  0.21
Output  | 7.4055e-05 | 7.4055e-05 | 7.4055e-05 |   0.0 |  0.00
Modify  | 0.27956    | 0.27956    | 0.27956    |   0.0 |  0.97
Other   |            | 0.0382     |            |       |  0.13

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:      704526.0 ave      704526 max      704526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704526
Ave neighs/atom = 176.13150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.816642397066, Press = -1.82745821292171
next a
jump SELF top
variable a loop 2000
run 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 
   57000   -17465.388   -17465.388   -17595.755   -17595.755    252.20401    252.20401    44081.298    44081.298   -1303.0523   -1303.0523 
   58000   -17461.325   -17461.325   -17593.185   -17593.185     255.0916     255.0916    43998.701    43998.701    2109.5179    2109.5179 
Loop time of 28.8209 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.998 ns/day, 8.006 hours/ns, 34.697 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.444     | 28.444     | 28.444     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060184   | 0.060184   | 0.060184   |   0.0 |  0.21
Output  | 7.4256e-05 | 7.4256e-05 | 7.4256e-05 |   0.0 |  0.00
Modify  | 0.27814    | 0.27814    | 0.27814    |   0.0 |  0.97
Other   |            | 0.03803    |            |       |  0.13

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 = 252.798837158535, Press = -0.0841560944233498
next a
jump SELF top
variable a loop 2000
run 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 
   58000   -17461.325   -17461.325   -17593.185   -17593.185     255.0916     255.0916    43998.701    43998.701    2109.5179    2109.5179 
   59000   -17464.682   -17464.682   -17595.462   -17595.462    253.00277    253.00277    44085.877    44085.877    -1415.413    -1415.413 
Loop time of 29.0613 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.973 ns/day, 8.073 hours/ns, 34.410 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    | 28.672     | 28.672     | 28.672     |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060957   | 0.060957   | 0.060957   |   0.0 |  0.21
Output  | 7.7265e-05 | 7.7265e-05 | 7.7265e-05 |   0.0 |  0.00
Modify  | 0.28773    | 0.28773    | 0.28773    |   0.0 |  0.99
Other   |            | 0.04026    |            |       |  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:      704824.0 ave      704824 max      704824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704824
Ave neighs/atom = 176.20600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.792888283535, Press = -0.30644916129911
next a
jump SELF top
variable a loop 2000
run 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 
   59000   -17464.682   -17464.682   -17595.462   -17595.462    253.00277    253.00277    44085.877    44085.877    -1415.413    -1415.413 
   60000   -17466.726   -17466.726   -17596.397   -17596.397    250.85773    250.85773    44017.638    44017.638    1109.0466    1109.0466 
Loop time of 28.7965 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.000 ns/day, 7.999 hours/ns, 34.726 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    | 28.419     | 28.419     | 28.419     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060202   | 0.060202   | 0.060202   |   0.0 |  0.21
Output  | 9.9531e-05 | 9.9531e-05 | 9.9531e-05 |   0.0 |  0.00
Modify  | 0.27892    | 0.27892    | 0.27892    |   0.0 |  0.97
Other   |            | 0.03803    |            |       |  0.13

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:      704384.0 ave      704384 max      704384 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704384
Ave neighs/atom = 176.09600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.801258945436, Press = -0.948121643334502
next a
jump SELF top
variable a loop 2000
run 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 
   60000   -17466.726   -17466.726   -17596.397   -17596.397    250.85773    250.85773    44017.638    44017.638    1109.0466    1109.0466 
   61000   -17462.112   -17462.112    -17591.77    -17591.77     250.8308     250.8308    44050.004    44050.004    154.58626    154.58626 
Loop time of 28.7675 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.003 ns/day, 7.991 hours/ns, 34.761 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.391     | 28.391     | 28.391     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05996    | 0.05996    | 0.05996    |   0.0 |  0.21
Output  | 7.7394e-05 | 7.7394e-05 | 7.7394e-05 |   0.0 |  0.00
Modify  | 0.27875    | 0.27875    | 0.27875    |   0.0 |  0.97
Other   |            | 0.03815    |            |       |  0.13

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:      704762.0 ave      704762 max      704762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704762
Ave neighs/atom = 176.19050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.782355759634, Press = 0.354482842662767
next a
jump SELF top
variable a loop 2000
run 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 
   61000   -17462.112   -17462.112    -17591.77    -17591.77     250.8308     250.8308    44050.004    44050.004    154.58626    154.58626 
   62000   -17466.515   -17466.515   -17596.913   -17596.913    252.26279    252.26279    44074.609    44074.609   -1068.7913   -1068.7913 
Loop time of 28.7809 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.002 ns/day, 7.995 hours/ns, 34.745 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    | 28.403     | 28.403     | 28.403     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060071   | 0.060071   | 0.060071   |   0.0 |  0.21
Output  | 9.9853e-05 | 9.9853e-05 | 9.9853e-05 |   0.0 |  0.00
Modify  | 0.27886    | 0.27886    | 0.27886    |   0.0 |  0.97
Other   |            | 0.03836    |            |       |  0.13

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:      704584.0 ave      704584 max      704584 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704584
Ave neighs/atom = 176.14600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.798068439957, Press = -0.966276064972121
next a
jump SELF top
variable a loop 2000
run 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 
   62000   -17466.515   -17466.515   -17596.913   -17596.913    252.26279    252.26279    44074.609    44074.609   -1068.7913   -1068.7913 
   63000   -17462.033   -17462.033   -17592.407   -17592.407    252.21745    252.21745    44009.023    44009.023    1754.3624    1754.3624 
Loop time of 28.7691 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.003 ns/day, 7.991 hours/ns, 34.759 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.392     | 28.392     | 28.392     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060006   | 0.060006   | 0.060006   |   0.0 |  0.21
Output  | 7.4018e-05 | 7.4018e-05 | 7.4018e-05 |   0.0 |  0.00
Modify  | 0.27897    | 0.27897    | 0.27897    |   0.0 |  0.97
Other   |            | 0.03827    |            |       |  0.13

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:      704482.0 ave      704482 max      704482 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704482
Ave neighs/atom = 176.12050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.790802330689, Press = -0.486248620883598
next a
jump SELF top
variable a loop 2000
run 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 
   63000   -17462.033   -17462.033   -17592.407   -17592.407    252.21745    252.21745    44009.023    44009.023    1754.3624    1754.3624 
   64000   -17462.731   -17462.731   -17594.864   -17594.864    255.61926    255.61926    44084.638    44084.638   -1302.6409   -1302.6409 
Loop time of 28.7784 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.002 ns/day, 7.994 hours/ns, 34.748 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    | 28.402     | 28.402     | 28.402     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059824   | 0.059824   | 0.059824   |   0.0 |  0.21
Output  | 0.00010298 | 0.00010298 | 0.00010298 |   0.0 |  0.00
Modify  | 0.27873    | 0.27873    | 0.27873    |   0.0 |  0.97
Other   |            | 0.03801    |            |       |  0.13

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:      704764.0 ave      704764 max      704764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704764
Ave neighs/atom = 176.19100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.806287472043, Press = 0.136579279860364
next a
jump SELF top
variable a loop 2000
run 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 
   64000   -17462.731   -17462.731   -17594.864   -17594.864    255.61926    255.61926    44084.638    44084.638   -1302.6409   -1302.6409 
   65000   -17466.305   -17466.305   -17594.235   -17594.235    247.48799    247.48799    44047.208    44047.208    85.142563    85.142563 
Loop time of 28.7947 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.001 ns/day, 7.999 hours/ns, 34.729 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    | 28.417     | 28.417     | 28.417     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060196   | 0.060196   | 0.060196   |   0.0 |  0.21
Output  | 8.0182e-05 | 8.0182e-05 | 8.0182e-05 |   0.0 |  0.00
Modify  | 0.27886    | 0.27886    | 0.27886    |   0.0 |  0.97
Other   |            | 0.03817    |            |       |  0.13

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:      704386.0 ave      704386 max      704386 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704386
Ave neighs/atom = 176.09650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.788560508695, Press = -1.1238577687935
next a
jump SELF top
variable a loop 2000
run 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 
   65000   -17466.305   -17466.305   -17594.235   -17594.235    247.48799    247.48799    44047.208    44047.208    85.142563    85.142563 
   66000   -17461.204   -17461.204   -17593.333   -17593.333    255.61224    255.61224    44041.334    44041.334    473.43985    473.43985 
Loop time of 28.9061 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.989 ns/day, 8.029 hours/ns, 34.595 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    | 28.523     | 28.523     | 28.523     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060885   | 0.060885   | 0.060885   |   0.0 |  0.21
Output  | 0.00010032 | 0.00010032 | 0.00010032 |   0.0 |  0.00
Modify  | 0.28324    | 0.28324    | 0.28324    |   0.0 |  0.98
Other   |            | 0.03914    |            |       |  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:      704578.0 ave      704578 max      704578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704578
Ave neighs/atom = 176.14450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.788395388972, Press = -0.222876101301518
next a
jump SELF top
variable a loop 2000
run 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 
   66000   -17461.204   -17461.204   -17593.333   -17593.333    255.61224    255.61224    44041.334    44041.334    473.43985    473.43985 
   67000   -17463.979   -17463.979   -17593.927   -17593.927     251.3936     251.3936    44067.067    44067.067   -634.64641   -634.64641 
Loop time of 28.9331 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.986 ns/day, 8.037 hours/ns, 34.563 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    | 28.55      | 28.55      | 28.55      |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060526   | 0.060526   | 0.060526   |   0.0 |  0.21
Output  | 7.3409e-05 | 7.3409e-05 | 7.3409e-05 |   0.0 |  0.00
Modify  | 0.28334    | 0.28334    | 0.28334    |   0.0 |  0.98
Other   |            | 0.03898    |            |       |  0.13

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:      704570.0 ave      704570 max      704570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704570
Ave neighs/atom = 176.14250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.794493433869, Press = -0.423540230631424
next a
jump SELF top
variable a loop 2000
run 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 
   67000   -17463.979   -17463.979   -17593.927   -17593.927     251.3936     251.3936    44067.067    44067.067   -634.64641   -634.64641 
   68000   -17463.257   -17463.257   -17592.308   -17592.308    249.65751    249.65751     44037.32     44037.32    643.72016    643.72016 
Loop time of 29.0711 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.972 ns/day, 8.075 hours/ns, 34.398 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    | 28.684     | 28.684     | 28.684     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060895   | 0.060895   | 0.060895   |   0.0 |  0.21
Output  | 0.00011298 | 0.00011298 | 0.00011298 |   0.0 |  0.00
Modify  | 0.28606    | 0.28606    | 0.28606    |   0.0 |  0.98
Other   |            | 0.03996    |            |       |  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:      704522.0 ave      704522 max      704522 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704522
Ave neighs/atom = 176.13050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.82879045195, Press = -0.56442452250545
next a
jump SELF top
variable a loop 2000
run 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 
   68000   -17463.257   -17463.257   -17592.308   -17592.308    249.65751    249.65751     44037.32     44037.32    643.72016    643.72016 
   69000    -17459.54    -17459.54   -17592.595   -17592.595    257.40323    257.40323    44088.267    44088.267   -1229.5721   -1229.5721 
Loop time of 28.8231 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.998 ns/day, 8.006 hours/ns, 34.694 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    | 28.445     | 28.445     | 28.445     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060334   | 0.060334   | 0.060334   |   0.0 |  0.21
Output  | 7.48e-05   | 7.48e-05   | 7.48e-05   |   0.0 |  0.00
Modify  | 0.2799     | 0.2799     | 0.2799     |   0.0 |  0.97
Other   |            | 0.03799    |            |       |  0.13

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:      704646.0 ave      704646 max      704646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704646
Ave neighs/atom = 176.16150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.843392581187, Press = -0.00634840679898249
next a
jump SELF top
variable a loop 2000
run 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 
   69000    -17459.54    -17459.54   -17592.595   -17592.595    257.40323    257.40323    44088.267    44088.267   -1229.5721   -1229.5721 
   70000   -17463.919   -17463.919   -17595.823   -17595.823    255.17562    255.17562    44056.476    44056.476   -316.09071   -316.09071 
Loop time of 29.0406 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.975 ns/day, 8.067 hours/ns, 34.434 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    | 28.649     | 28.649     | 28.649     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061188   | 0.061188   | 0.061188   |   0.0 |  0.21
Output  | 7.8478e-05 | 7.8478e-05 | 7.8478e-05 |   0.0 |  0.00
Modify  | 0.28946    | 0.28946    | 0.28946    |   0.0 |  1.00
Other   |            | 0.04094    |            |       |  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:      704390.0 ave      704390 max      704390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704390
Ave neighs/atom = 176.09750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.82763237249, Press = -1.42709404607707
next a
jump SELF top
variable a loop 2000
run 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 
   70000   -17463.919   -17463.919   -17595.823   -17595.823    255.17562    255.17562    44056.476    44056.476   -316.09071   -316.09071 
   71000   -17460.959   -17460.959   -17593.321   -17593.321    256.06266    256.06266    44019.525    44019.525    1302.8389    1302.8389 
Loop time of 28.9445 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    | 28.56      | 28.56      | 28.56      |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060679   | 0.060679   | 0.060679   |   0.0 |  0.21
Output  | 8.1481e-05 | 8.1481e-05 | 8.1481e-05 |   0.0 |  0.00
Modify  | 0.28397    | 0.28397    | 0.28397    |   0.0 |  0.98
Other   |            | 0.03941    |            |       |  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:      704556.0 ave      704556 max      704556 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704556
Ave neighs/atom = 176.13900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.836451344747, Press = 0.173731245582197
next a
jump SELF top
variable a loop 2000
run 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 
   71000   -17460.959   -17460.959   -17593.321   -17593.321    256.06266    256.06266    44019.525    44019.525    1302.8389    1302.8389 
   72000   -17459.129   -17459.129   -17593.725   -17593.725    260.38559    260.38559    44093.424    44093.424   -1502.1471   -1502.1471 
Loop time of 28.7938 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.001 ns/day, 7.998 hours/ns, 34.730 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    | 28.417     | 28.417     | 28.417     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060057   | 0.060057   | 0.060057   |   0.0 |  0.21
Output  | 9.7806e-05 | 9.7806e-05 | 9.7806e-05 |   0.0 |  0.00
Modify  | 0.27841    | 0.27841    | 0.27841    |   0.0 |  0.97
Other   |            | 0.03793    |            |       |  0.13

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:      704802.0 ave      704802 max      704802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704802
Ave neighs/atom = 176.20050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.853066703653, Press = -0.355066106837699
next a
jump SELF top
variable a loop 2000
run 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 
   72000   -17459.129   -17459.129   -17593.725   -17593.725    260.38559    260.38559    44093.424    44093.424   -1502.1471   -1502.1471 
   73000    -17464.66    -17464.66   -17594.408   -17594.408    251.00486    251.00486    44037.125    44037.125    564.60436    564.60436 
Loop time of 28.8646 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.993 ns/day, 8.018 hours/ns, 34.644 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    | 28.483     | 28.483     | 28.483     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06053    | 0.06053    | 0.06053    |   0.0 |  0.21
Output  | 7.9024e-05 | 7.9024e-05 | 7.9024e-05 |   0.0 |  0.00
Modify  | 0.28177    | 0.28177    | 0.28177    |   0.0 |  0.98
Other   |            | 0.03877    |            |       |  0.13

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:      704322.0 ave      704322 max      704322 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704322
Ave neighs/atom = 176.08050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.872579111919, Press = -0.616298107451786
next a
jump SELF top
variable a loop 2000
run 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 
   73000    -17464.66    -17464.66   -17594.408   -17594.408    251.00486    251.00486    44037.125    44037.125    564.60436    564.60436 
   74000   -17457.218   -17457.218   -17592.027   -17592.027    260.79619    260.79619     44053.89     44053.89    130.88342    130.88342 
Loop time of 28.7816 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.002 ns/day, 7.995 hours/ns, 34.744 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    | 28.406     | 28.406     | 28.406     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059934   | 0.059934   | 0.059934   |   0.0 |  0.21
Output  | 8.123e-05  | 8.123e-05  | 8.123e-05  |   0.0 |  0.00
Modify  | 0.27759    | 0.27759    | 0.27759    |   0.0 |  0.96
Other   |            | 0.03758    |            |       |  0.13

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:      704686.0 ave      704686 max      704686 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704686
Ave neighs/atom = 176.17150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.895590122829, Press = -0.141021775533639
next a
jump SELF top
variable a loop 2000
run 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 
   74000   -17457.218   -17457.218   -17592.027   -17592.027    260.79619    260.79619     44053.89     44053.89    130.88342    130.88342 
   75000   -17464.318   -17464.318   -17593.155   -17593.155    249.24375    249.24375    44071.189    44071.189   -760.80095   -760.80095 
Loop time of 28.7565 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.005 ns/day, 7.988 hours/ns, 34.775 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.38      | 28.38      | 28.38      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060013   | 0.060013   | 0.060013   |   0.0 |  0.21
Output  | 0.00010373 | 0.00010373 | 0.00010373 |   0.0 |  0.00
Modify  | 0.27872    | 0.27872    | 0.27872    |   0.0 |  0.97
Other   |            | 0.03773    |            |       |  0.13

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:      704430.0 ave      704430 max      704430 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704430
Ave neighs/atom = 176.10750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.909819492129, Press = -0.568621671603305
next a
jump SELF top
variable a loop 2000
run 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 
   75000   -17464.318   -17464.318   -17593.155   -17593.155    249.24375    249.24375    44071.189    44071.189   -760.80095   -760.80095 
   76000   -17467.073   -17467.073    -17596.47    -17596.47    250.32758    250.32758    44021.891    44021.891    978.93891    978.93891 
Loop time of 28.7492 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.005 ns/day, 7.986 hours/ns, 34.784 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    | 28.375     | 28.375     | 28.375     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05989    | 0.05989    | 0.05989    |   0.0 |  0.21
Output  | 7.4984e-05 | 7.4984e-05 | 7.4984e-05 |   0.0 |  0.00
Modify  | 0.27719    | 0.27719    | 0.27719    |   0.0 |  0.96
Other   |            | 0.03734    |            |       |  0.13

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:      704468.0 ave      704468 max      704468 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704468
Ave neighs/atom = 176.11700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.904424946734, Press = -0.68091017921164
next a
jump SELF top
variable a loop 2000
run 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 
   76000   -17467.073   -17467.073    -17596.47    -17596.47    250.32758    250.32758    44021.891    44021.891    978.93891    978.93891 
   77000   -17463.759   -17463.759   -17595.842   -17595.842     255.5224     255.5224    44045.681    44045.681    174.33463    174.33463 
Loop time of 28.73 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.007 ns/day, 7.981 hours/ns, 34.807 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.354     | 28.354     | 28.354     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059671   | 0.059671   | 0.059671   |   0.0 |  0.21
Output  | 0.00021231 | 0.00021231 | 0.00021231 |   0.0 |  0.00
Modify  | 0.27845    | 0.27845    | 0.27845    |   0.0 |  0.97
Other   |            | 0.03789    |            |       |  0.13

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:      704640.0 ave      704640 max      704640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704640
Ave neighs/atom = 176.16000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.895574414066, Press = 0.240931576847655
next a
jump SELF top
variable a loop 2000
run 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 
   77000   -17463.759   -17463.759   -17595.842   -17595.842     255.5224     255.5224    44045.681    44045.681    174.33463    174.33463 
   78000   -17461.172   -17461.172   -17593.541   -17593.541    256.07545    256.07545    44095.442    44095.442   -1594.2884   -1594.2884 
Loop time of 28.8567 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.994 ns/day, 8.016 hours/ns, 34.654 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.474     | 28.474     | 28.474     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060273   | 0.060273   | 0.060273   |   0.0 |  0.21
Output  | 6.8551e-05 | 6.8551e-05 | 6.8551e-05 |   0.0 |  0.00
Modify  | 0.28299    | 0.28299    | 0.28299    |   0.0 |  0.98
Other   |            | 0.03915    |            |       |  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:      704470.0 ave      704470 max      704470 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704470
Ave neighs/atom = 176.11750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.893659462648, Press = -0.858183996455753
next a
jump SELF top
variable a loop 2000
run 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 
   78000   -17461.172   -17461.172   -17593.541   -17593.541    256.07545    256.07545    44095.442    44095.442   -1594.2884   -1594.2884 
   79000   -17463.443   -17463.443   -17594.584   -17594.584    253.70177    253.70177     44012.62     44012.62     1476.962     1476.962 
Loop time of 28.7831 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.002 ns/day, 7.995 hours/ns, 34.743 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    | 28.406     | 28.406     | 28.406     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059718   | 0.059718   | 0.059718   |   0.0 |  0.21
Output  | 9.945e-05  | 9.945e-05  | 9.945e-05  |   0.0 |  0.00
Modify  | 0.27915    | 0.27915    | 0.27915    |   0.0 |  0.97
Other   |            | 0.03799    |            |       |  0.13

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:      704400.0 ave      704400 max      704400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704400
Ave neighs/atom = 176.10000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.883551799498, Press = -0.341728217000645
next a
jump SELF top
variable a loop 2000
run 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 
   79000   -17463.443   -17463.443   -17594.584   -17594.584    253.70177    253.70177     44012.62     44012.62     1476.962     1476.962 
   80000   -17461.962   -17461.962   -17594.552   -17594.552    256.50346    256.50346    44073.287    44073.287   -795.82178   -795.82178 
Loop time of 28.7333 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.007 ns/day, 7.981 hours/ns, 34.803 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    | 28.36      | 28.36      | 28.36      |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059638   | 0.059638   | 0.059638   |   0.0 |  0.21
Output  | 9.5938e-05 | 9.5938e-05 | 9.5938e-05 |   0.0 |  0.00
Modify  | 0.27688    | 0.27688    | 0.27688    |   0.0 |  0.96
Other   |            | 0.0371     |            |       |  0.13

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:      704618.0 ave      704618 max      704618 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704618
Ave neighs/atom = 176.15450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.89065025747, Press = -0.00677268995708662
next a
jump SELF top
variable a loop 2000
run 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 
   80000   -17461.962   -17461.962   -17594.552   -17594.552    256.50346    256.50346    44073.287    44073.287   -795.82178   -795.82178 
   81000    -17466.24    -17466.24   -17596.565   -17596.565    252.12146    252.12146    44061.751    44061.751   -543.50563   -543.50563 
Loop time of 28.7757 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.003 ns/day, 7.993 hours/ns, 34.752 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    | 28.401     | 28.401     | 28.401     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059934   | 0.059934   | 0.059934   |   0.0 |  0.21
Output  | 9.6966e-05 | 9.6966e-05 | 9.6966e-05 |   0.0 |  0.00
Modify  | 0.27726    | 0.27726    | 0.27726    |   0.0 |  0.96
Other   |            | 0.03709    |            |       |  0.13

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:      704486.0 ave      704486 max      704486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704486
Ave neighs/atom = 176.12150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.874251895669, Press = -0.937119018125817
next a
jump SELF top
variable a loop 2000
run 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 
   81000    -17466.24    -17466.24   -17596.565   -17596.565    252.12146    252.12146    44061.751    44061.751   -543.50563   -543.50563 
   82000   -17462.614   -17462.614   -17592.829   -17592.829    251.90938    251.90938    43980.361    43980.361    2796.1179    2796.1179 
Loop time of 28.712 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.009 ns/day, 7.976 hours/ns, 34.829 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    | 28.339     | 28.339     | 28.339     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059892   | 0.059892   | 0.059892   |   0.0 |  0.21
Output  | 0.00010667 | 0.00010667 | 0.00010667 |   0.0 |  0.00
Modify  | 0.27628    | 0.27628    | 0.27628    |   0.0 |  0.96
Other   |            | 0.03711    |            |       |  0.13

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:      704508.0 ave      704508 max      704508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704508
Ave neighs/atom = 176.12700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.852780819373, Press = 0.259000937909797
next a
jump SELF top
variable a loop 2000
run 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 
   82000   -17462.614   -17462.614   -17592.829   -17592.829    251.90938    251.90938    43980.361    43980.361    2796.1179    2796.1179 
   83000   -17461.218   -17461.218   -17590.906   -17590.906    250.88946    250.88946    44105.837    44105.837    -1882.816    -1882.816 
Loop time of 28.8596 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.994 ns/day, 8.017 hours/ns, 34.651 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    | 28.485     | 28.485     | 28.485     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059768   | 0.059768   | 0.059768   |   0.0 |  0.21
Output  | 7.4741e-05 | 7.4741e-05 | 7.4741e-05 |   0.0 |  0.00
Modify  | 0.27718    | 0.27718    | 0.27718    |   0.0 |  0.96
Other   |            | 0.03711    |            |       |  0.13

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:      704988.0 ave      704988 max      704988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704988
Ave neighs/atom = 176.24700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.852423491702, Press = -0.160017640627597
next a
jump SELF top
variable a loop 2000
run 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 
   83000   -17461.218   -17461.218   -17590.906   -17590.906    250.88946    250.88946    44105.837    44105.837    -1882.816    -1882.816 
   84000   -17465.083   -17465.083   -17593.826   -17593.826    249.06172    249.06172    44038.125    44038.125    543.33177    543.33177 
Loop time of 28.6963 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.011 ns/day, 7.971 hours/ns, 34.848 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    | 28.322     | 28.322     | 28.322     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059788   | 0.059788   | 0.059788   |   0.0 |  0.21
Output  | 9.9102e-05 | 9.9102e-05 | 9.9102e-05 |   0.0 |  0.00
Modify  | 0.27656    | 0.27656    | 0.27656    |   0.0 |  0.96
Other   |            | 0.03756    |            |       |  0.13

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:      704354.0 ave      704354 max      704354 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704354
Ave neighs/atom = 176.08850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.85346220157, Press = -0.657166855717312
next a
jump SELF top
variable a loop 2000
run 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 
   84000   -17465.083   -17465.083   -17593.826   -17593.826    249.06172    249.06172    44038.125    44038.125    543.33177    543.33177 
   85000   -17460.043   -17460.043    -17592.17    -17592.17    255.60785    255.60785    44051.189    44051.189    177.69056    177.69056 
Loop time of 28.8493 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.995 ns/day, 8.014 hours/ns, 34.663 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    | 28.474     | 28.474     | 28.474     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059953   | 0.059953   | 0.059953   |   0.0 |  0.21
Output  | 7.3554e-05 | 7.3554e-05 | 7.3554e-05 |   0.0 |  0.00
Modify  | 0.27773    | 0.27773    | 0.27773    |   0.0 |  0.96
Other   |            | 0.03732    |            |       |  0.13

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:      704552.0 ave      704552 max      704552 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704552
Ave neighs/atom = 176.13800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.850808154197, Press = 0.122938364405703
next a
jump SELF top
variable a loop 2000
run 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 
   85000   -17460.043   -17460.043    -17592.17    -17592.17    255.60785    255.60785    44051.189    44051.189    177.69056    177.69056 
   86000   -17459.458   -17459.458   -17592.862   -17592.862    258.07777    258.07777    44081.594    44081.594   -963.39719   -963.39719 
Loop time of 28.7659 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.004 ns/day, 7.991 hours/ns, 34.763 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    | 28.391     | 28.391     | 28.391     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059811   | 0.059811   | 0.059811   |   0.0 |  0.21
Output  | 7.3724e-05 | 7.3724e-05 | 7.3724e-05 |   0.0 |  0.00
Modify  | 0.27732    | 0.27732    | 0.27732    |   0.0 |  0.96
Other   |            | 0.03747    |            |       |  0.13

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:      704560.0 ave      704560 max      704560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704560
Ave neighs/atom = 176.14000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.855439423535, Press = -0.570172070238258
next a
jump SELF top
variable a loop 2000
run 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 
   86000   -17459.458   -17459.458   -17592.862   -17592.862    258.07777    258.07777    44081.594    44081.594   -963.39719   -963.39719 
   87000   -17464.164   -17464.164   -17594.484   -17594.484    252.11195    252.11195    43976.898    43976.898    2878.2354    2878.2354 
Loop time of 28.794 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.001 ns/day, 7.998 hours/ns, 34.729 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    | 28.417     | 28.417     | 28.417     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059971   | 0.059971   | 0.059971   |   0.0 |  0.21
Output  | 7.4323e-05 | 7.4323e-05 | 7.4323e-05 |   0.0 |  0.00
Modify  | 0.27866    | 0.27866    | 0.27866    |   0.0 |  0.97
Other   |            | 0.03782    |            |       |  0.13

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:      704370.0 ave      704370 max      704370 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704370
Ave neighs/atom = 176.09250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.879180504232, Press = -0.0646924330162317
next a
jump SELF top
variable a loop 2000
run 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 
   87000   -17464.164   -17464.164   -17594.484   -17594.484    252.11195    252.11195    43976.898    43976.898    2878.2354    2878.2354 
   88000   -17459.937   -17459.937    -17590.97    -17590.97    253.49247    253.49247    44126.518    44126.518    -2687.545    -2687.545 
Loop time of 28.7466 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.006 ns/day, 7.985 hours/ns, 34.787 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    | 28.372     | 28.372     | 28.372     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059957   | 0.059957   | 0.059957   |   0.0 |  0.21
Output  | 7.4442e-05 | 7.4442e-05 | 7.4442e-05 |   0.0 |  0.00
Modify  | 0.2774     | 0.2774     | 0.2774     |   0.0 |  0.96
Other   |            | 0.03755    |            |       |  0.13

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:      704898.0 ave      704898 max      704898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704898
Ave neighs/atom = 176.22450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.880115496628, Press = 0.196260573417318
next a
jump SELF top
variable a loop 2000
run 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 
   88000   -17459.937   -17459.937    -17590.97    -17590.97    253.49247    253.49247    44126.518    44126.518    -2687.545    -2687.545 
   89000   -17463.497   -17463.497   -17593.332   -17593.332    251.17526    251.17526    44035.214    44035.214    717.39726    717.39726 
Loop time of 28.7532 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.005 ns/day, 7.987 hours/ns, 34.779 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    | 28.379     | 28.379     | 28.379     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060083   | 0.060083   | 0.060083   |   0.0 |  0.21
Output  | 0.0001125  | 0.0001125  | 0.0001125  |   0.0 |  0.00
Modify  | 0.27722    | 0.27722    | 0.27722    |   0.0 |  0.96
Other   |            | 0.03714    |            |       |  0.13

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:      704212.0 ave      704212 max      704212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704212
Ave neighs/atom = 176.05300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.900776093845, Press = -0.721919394308341
next a
jump SELF top
variable a loop 2000
run 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 
   89000   -17463.497   -17463.497   -17593.332   -17593.332    251.17526    251.17526    44035.214    44035.214    717.39726    717.39726 
   90000   -17460.476   -17460.476   -17590.991   -17590.991    252.48993    252.48993    44035.238    44035.238    808.01798    808.01798 
Loop time of 28.8309 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.997 ns/day, 8.009 hours/ns, 34.685 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    | 28.455     | 28.455     | 28.455     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060041   | 0.060041   | 0.060041   |   0.0 |  0.21
Output  | 7.2938e-05 | 7.2938e-05 | 7.2938e-05 |   0.0 |  0.00
Modify  | 0.2782     | 0.2782     | 0.2782     |   0.0 |  0.96
Other   |            | 0.03772    |            |       |  0.13

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:      704640.0 ave      704640 max      704640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704640
Ave neighs/atom = 176.16000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.913452411723, Press = 0.158345820216052
next a
jump SELF top
variable a loop 2000
run 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 
   90000   -17460.476   -17460.476   -17590.991   -17590.991    252.48993    252.48993    44035.238    44035.238    808.01798    808.01798 
   91000   -17461.703   -17461.703   -17594.714   -17594.714    257.31891    257.31891     44086.24     44086.24   -1330.7543   -1330.7543 
Loop time of 28.7511 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.005 ns/day, 7.986 hours/ns, 34.781 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 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059965   | 0.059965   | 0.059965   |   0.0 |  0.21
Output  | 0.00020551 | 0.00020551 | 0.00020551 |   0.0 |  0.00
Modify  | 0.2782     | 0.2782     | 0.2782     |   0.0 |  0.97
Other   |            | 0.03785    |            |       |  0.13

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:      704690.0 ave      704690 max      704690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704690
Ave neighs/atom = 176.17250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.939099084831, Press = -0.352739069974725
next a
jump SELF top
variable a loop 2000
run 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 
   91000   -17461.703   -17461.703   -17594.714   -17594.714    257.31891    257.31891     44086.24     44086.24   -1330.7543   -1330.7543 
   92000   -17465.431   -17465.431   -17593.798   -17593.798    248.33424    248.33424    44013.805    44013.805    1407.1655    1407.1655 
Loop time of 28.7702 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.003 ns/day, 7.992 hours/ns, 34.758 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    | 28.395     | 28.395     | 28.395     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060012   | 0.060012   | 0.060012   |   0.0 |  0.21
Output  | 7.3288e-05 | 7.3288e-05 | 7.3288e-05 |   0.0 |  0.00
Modify  | 0.27806    | 0.27806    | 0.27806    |   0.0 |  0.97
Other   |            | 0.03747    |            |       |  0.13

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:      704390.0 ave      704390 max      704390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704390
Ave neighs/atom = 176.09750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.943859929841, Press = -0.46131740100706
next a
jump SELF top
variable a loop 2000
run 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 
   92000   -17465.431   -17465.431   -17593.798   -17593.798    248.33424    248.33424    44013.805    44013.805    1407.1655    1407.1655 
   93000   -17461.252   -17461.252   -17591.631   -17591.631    252.22775    252.22775     44079.47     44079.47    -888.1219    -888.1219 
Loop time of 28.7971 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.000 ns/day, 7.999 hours/ns, 34.726 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    | 28.422     | 28.422     | 28.422     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060082   | 0.060082   | 0.060082   |   0.0 |  0.21
Output  | 0.00010032 | 0.00010032 | 0.00010032 |   0.0 |  0.00
Modify  | 0.27737    | 0.27737    | 0.27737    |   0.0 |  0.96
Other   |            | 0.03754    |            |       |  0.13

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:      704818.0 ave      704818 max      704818 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704818
Ave neighs/atom = 176.20450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.941253332811, Press = 0.626640978137361
next a
jump SELF top
variable a loop 2000
run 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 
   93000   -17461.252   -17461.252   -17591.631   -17591.631    252.22775    252.22775     44079.47     44079.47    -888.1219    -888.1219 
   94000   -17463.279   -17463.279   -17593.834   -17593.834    252.56856    252.56856    44081.188    44081.188   -1099.9387   -1099.9387 
Loop time of 28.8029 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.000 ns/day, 8.001 hours/ns, 34.719 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    | 28.428     | 28.428     | 28.428     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059843   | 0.059843   | 0.059843   |   0.0 |  0.21
Output  | 9.7096e-05 | 9.7096e-05 | 9.7096e-05 |   0.0 |  0.00
Modify  | 0.27741    | 0.27741    | 0.27741    |   0.0 |  0.96
Other   |            | 0.0372     |            |       |  0.13

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:      704370.0 ave      704370 max      704370 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704370
Ave neighs/atom = 176.09250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.92375972087, Press = -0.777242079070828
next a
jump SELF top
variable a loop 2000
run 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 
   94000   -17463.279   -17463.279   -17593.834   -17593.834    252.56856    252.56856    44081.188    44081.188   -1099.9387   -1099.9387 
   95000   -17464.693   -17464.693   -17594.329   -17594.329    250.78928    250.78928    44021.056    44021.056    1183.7207    1183.7207 
Loop time of 28.7422 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.006 ns/day, 7.984 hours/ns, 34.792 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.367     | 28.367     | 28.367     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060036   | 0.060036   | 0.060036   |   0.0 |  0.21
Output  | 9.9021e-05 | 9.9021e-05 | 9.9021e-05 |   0.0 |  0.00
Modify  | 0.27732    | 0.27732    | 0.27732    |   0.0 |  0.96
Other   |            | 0.03738    |            |       |  0.13

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:      704318.0 ave      704318 max      704318 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704318
Ave neighs/atom = 176.07950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.921122125996, Press = -0.0646226985163055
next a
jump SELF top
variable a loop 2000
run 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 
   95000   -17464.693   -17464.693   -17594.329   -17594.329    250.78928    250.78928    44021.056    44021.056    1183.7207    1183.7207 
   96000   -17462.107   -17462.107    -17593.36    -17593.36    253.91795    253.91795    44082.189    44082.189   -1146.8635   -1146.8635 
Loop time of 28.8039 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.000 ns/day, 8.001 hours/ns, 34.717 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    | 28.429     | 28.429     | 28.429     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059878   | 0.059878   | 0.059878   |   0.0 |  0.21
Output  | 7.6342e-05 | 7.6342e-05 | 7.6342e-05 |   0.0 |  0.00
Modify  | 0.27713    | 0.27713    | 0.27713    |   0.0 |  0.96
Other   |            | 0.03745    |            |       |  0.13

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:      704796.0 ave      704796 max      704796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704796
Ave neighs/atom = 176.19900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.920770917829, Press = -0.226746457180542
next a
jump SELF top
variable a loop 2000
run 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 
   96000   -17462.107   -17462.107    -17593.36    -17593.36    253.91795    253.91795    44082.189    44082.189   -1146.8635   -1146.8635 
   97000   -17460.431   -17460.431   -17593.326   -17593.326    257.09379    257.09379    44027.736    44027.736     1059.436     1059.436 
Loop time of 28.7403 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.006 ns/day, 7.983 hours/ns, 34.794 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    | 28.366     | 28.366     | 28.366     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060207   | 0.060207   | 0.060207   |   0.0 |  0.21
Output  | 9.9225e-05 | 9.9225e-05 | 9.9225e-05 |   0.0 |  0.00
Modify  | 0.2765     | 0.2765     | 0.2765     |   0.0 |  0.96
Other   |            | 0.03733    |            |       |  0.13

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:      704434.0 ave      704434 max      704434 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704434
Ave neighs/atom = 176.10850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.926213906398, Press = -0.311069471968816
next a
jump SELF top
variable a loop 2000
run 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 
   97000   -17460.431   -17460.431   -17593.326   -17593.326    257.09379    257.09379    44027.736    44027.736     1059.436     1059.436 
   98000   -17460.152   -17460.152   -17592.742   -17592.742    256.50346    256.50346    44067.241    44067.241   -478.04956   -478.04956 
Loop time of 28.7528 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.005 ns/day, 7.987 hours/ns, 34.779 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    | 28.378     | 28.378     | 28.378     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05973    | 0.05973    | 0.05973    |   0.0 |  0.21
Output  | 7.3907e-05 | 7.3907e-05 | 7.3907e-05 |   0.0 |  0.00
Modify  | 0.27723    | 0.27723    | 0.27723    |   0.0 |  0.96
Other   |            | 0.0375     |            |       |  0.13

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:      704594.0 ave      704594 max      704594 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704594
Ave neighs/atom = 176.14850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.925452608124, Press = 0.266173589034497
next a
jump SELF top
variable a loop 2000
run 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 
   98000   -17460.152   -17460.152   -17592.742   -17592.742    256.50346    256.50346    44067.241    44067.241   -478.04956   -478.04956 
   99000   -17463.457   -17463.457   -17593.568   -17593.568    251.70743    251.70743     44103.86     44103.86    -2003.279    -2003.279 
Loop time of 28.7658 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.004 ns/day, 7.991 hours/ns, 34.763 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    | 28.391     | 28.391     | 28.391     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059707   | 0.059707   | 0.059707   |   0.0 |  0.21
Output  | 0.00010413 | 0.00010413 | 0.00010413 |   0.0 |  0.00
Modify  | 0.27775    | 0.27775    | 0.27775    |   0.0 |  0.97
Other   |            | 0.03749    |            |       |  0.13

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:      704528.0 ave      704528 max      704528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704528
Ave neighs/atom = 176.13200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.942371676446, Press = -1.01695969549625
next a
jump SELF top
variable a loop 2000
run 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 
   99000   -17463.457   -17463.457   -17593.568   -17593.568    251.70743    251.70743     44103.86     44103.86    -2003.279    -2003.279 
  100000   -17461.165   -17461.165   -17595.331   -17595.331    259.55196    259.55196    44004.167    44004.167    1897.5158    1897.5158 
Loop time of 28.7789 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.002 ns/day, 7.994 hours/ns, 34.748 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    | 28.404     | 28.404     | 28.404     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059938   | 0.059938   | 0.059938   |   0.0 |  0.21
Output  | 7.268e-05  | 7.268e-05  | 7.268e-05  |   0.0 |  0.00
Modify  | 0.27708    | 0.27708    | 0.27708    |   0.0 |  0.96
Other   |            | 0.03737    |            |       |  0.13

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:      704352.0 ave      704352 max      704352 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704352
Ave neighs/atom = 176.08800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.946857790786, Press = 0.105220621855033
next a
jump SELF top
variable a loop 2000
run 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 
  100000   -17461.165   -17461.165   -17595.331   -17595.331    259.55196    259.55196    44004.167    44004.167    1897.5158    1897.5158 
  101000   -17465.775   -17465.775   -17593.186   -17593.186    246.48431    246.48431    44085.949    44085.949   -1336.3483   -1336.3483 
Loop time of 28.8363 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.996 ns/day, 8.010 hours/ns, 34.678 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    | 28.461     | 28.461     | 28.461     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060255   | 0.060255   | 0.060255   |   0.0 |  0.21
Output  | 7.4742e-05 | 7.4742e-05 | 7.4742e-05 |   0.0 |  0.00
Modify  | 0.27803    | 0.27803    | 0.27803    |   0.0 |  0.96
Other   |            | 0.03726    |            |       |  0.13

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:      704720.0 ave      704720 max      704720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704720
Ave neighs/atom = 176.18000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.936751246843, Press = 0.105896943028933
next a
jump SELF top
variable a loop 2000
run 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 
  101000   -17465.775   -17465.775   -17593.186   -17593.186    246.48431    246.48431    44085.949    44085.949   -1336.3483   -1336.3483 
  102000   -17459.995   -17459.995   -17590.809   -17590.809     253.0684     253.0684    44044.504    44044.504    523.76043    523.76043 
Loop time of 28.8419 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.996 ns/day, 8.012 hours/ns, 34.672 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    | 28.465     | 28.465     | 28.465     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060126   | 0.060126   | 0.060126   |   0.0 |  0.21
Output  | 7.5138e-05 | 7.5138e-05 | 7.5138e-05 |   0.0 |  0.00
Modify  | 0.27925    | 0.27925    | 0.27925    |   0.0 |  0.97
Other   |            | 0.03776    |            |       |  0.13

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:      704490.0 ave      704490 max      704490 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704490
Ave neighs/atom = 176.12250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.933982155313, Press = -0.518670654837915
next a
jump SELF top
variable a loop 2000
run 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 
  102000   -17459.995   -17459.995   -17590.809   -17590.809     253.0684     253.0684    44044.504    44044.504    523.76043    523.76043 
  103000   -17463.879   -17463.879   -17593.303   -17593.303    250.38035    250.38035    44032.196    44032.196    835.58415    835.58415 
Loop time of 28.7788 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.002 ns/day, 7.994 hours/ns, 34.748 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    | 28.403     | 28.403     | 28.403     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059988   | 0.059988   | 0.059988   |   0.0 |  0.21
Output  | 9.7811e-05 | 9.7811e-05 | 9.7811e-05 |   0.0 |  0.00
Modify  | 0.27784    | 0.27784    | 0.27784    |   0.0 |  0.97
Other   |            | 0.03743    |            |       |  0.13

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:      704640.0 ave      704640 max      704640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704640
Ave neighs/atom = 176.16000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.945986499071, Press = 0.0301479558355252
next a
jump SELF top
variable a loop 2000
run 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 
  103000   -17463.879   -17463.879   -17593.303   -17593.303    250.38035    250.38035    44032.196    44032.196    835.58415    835.58415 
  104000   -17461.654   -17461.654   -17592.393   -17592.393    252.92477    252.92477    44061.604    44061.604   -208.71646   -208.71646 
Loop time of 28.7571 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.004 ns/day, 7.988 hours/ns, 34.774 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    | 28.383     | 28.383     | 28.383     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059593   | 0.059593   | 0.059593   |   0.0 |  0.21
Output  | 7.6097e-05 | 7.6097e-05 | 7.6097e-05 |   0.0 |  0.00
Modify  | 0.27718    | 0.27718    | 0.27718    |   0.0 |  0.96
Other   |            | 0.03744    |            |       |  0.13

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:      704600.0 ave      704600 max      704600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704600
Ave neighs/atom = 176.15000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
44053.0471064087

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0