# 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 2.8846026957035074*${_u_distance}
variable latticeconst_converted equal 2.8846026957035074*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.88460269570351
Lattice spacing in x,y,z = 2.8846027 2.8846027 2.8846027
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 (28.846027 28.846027 28.846027)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.846027 28.846027 28.846027)
  create_atoms CPU = 0.004 seconds

variable mass_converted equal 51.9961*${_u_mass}
variable mass_converted equal 51.9961*1

kim_interactions Cr

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

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


mass          1 ${mass_converted}
mass          1 51.9961

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 24002.5849319757    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 24002.5849319757/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 24002.5849319757/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 24002.5849319757/(1*1*${_u_distance})
variable      V0_metal equal 24002.5849319757/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 24002.5849319757*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 24002.5849319757 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 273.15*${_u_temperature}
variable temp_converted equal 273.15*1
variable Tdamp_converted equal 0.1*${_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 273.15 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 273.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 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  "273.15 - 0.2"
variable      T_up  equal  "273.15 + 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -8116.8946   -8116.8946   -8187.4741   -8187.4741       273.15       273.15    24002.585    24002.585    3140.7635    3140.7635 
    1000   -8040.7902   -8040.7902   -8112.2159   -8112.2159    276.42483    276.42483     23869.63     23869.63    4166.3657    4166.3657 
Loop time of 29.7493 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.904 ns/day, 8.264 hours/ns, 33.614 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    | 29.168     | 29.168     | 29.168     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13496    | 0.13496    | 0.13496    |   0.0 |  0.45
Output  | 0.00023729 | 0.00023729 | 0.00023729 |   0.0 |  0.00
Modify  | 0.37831    | 0.37831    | 0.37831    |   0.0 |  1.27
Other   |            | 0.06782    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336000.0 ave      336000 max      336000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336000
Ave neighs/atom = 168.00000
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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8040.7902   -8040.7902   -8112.2159   -8112.2159    276.42483    276.42483     23869.63     23869.63    4166.3657    4166.3657 
    2000   -8042.3269   -8042.3269   -8113.6973   -8113.6973    276.21089    276.21089    23907.737    23907.737   -93.524691   -93.524691 
Loop time of 28.6234 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.019 ns/day, 7.951 hours/ns, 34.936 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    | 28.082     | 28.082     | 28.082     |   0.0 | 98.11
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12531    | 0.12531    | 0.12531    |   0.0 |  0.44
Output  | 0.00022835 | 0.00022835 | 0.00022835 |   0.0 |  0.00
Modify  | 0.34907    | 0.34907    | 0.34907    |   0.0 |  1.22
Other   |            | 0.0665     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335940.0 ave      335940 max      335940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335940
Ave neighs/atom = 167.97000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -8042.3269   -8042.3269   -8113.6973   -8113.6973    276.21089    276.21089    23907.737    23907.737   -93.524691   -93.524691 
    3000   -8042.9198   -8042.9198   -8114.4313   -8114.4313     276.7569     276.7569     23914.74     23914.74   -1014.7533   -1014.7533 
Loop time of 28.6813 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.012 ns/day, 7.967 hours/ns, 34.866 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    | 28.139     | 28.139     | 28.139     |   0.0 | 98.11
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12472    | 0.12472    | 0.12472    |   0.0 |  0.43
Output  | 0.0002425  | 0.0002425  | 0.0002425  |   0.0 |  0.00
Modify  | 0.35023    | 0.35023    | 0.35023    |   0.0 |  1.22
Other   |            | 0.06666    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335894.0 ave      335894 max      335894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335894
Ave neighs/atom = 167.94700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -8042.9198   -8042.9198   -8114.4313   -8114.4313     276.7569     276.7569     23914.74     23914.74   -1014.7533   -1014.7533 
    4000   -8040.9713   -8040.9713   -8112.6559   -8112.6559    277.42684    277.42684    23934.431    23934.431   -2847.7906   -2847.7906 
Loop time of 29.2448 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.954 ns/day, 8.124 hours/ns, 34.194 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    | 28.696     | 28.696     | 28.696     |   0.0 | 98.13
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12617    | 0.12617    | 0.12617    |   0.0 |  0.43
Output  | 0.00023205 | 0.00023205 | 0.00023205 |   0.0 |  0.00
Modify  | 0.35576    | 0.35576    | 0.35576    |   0.0 |  1.22
Other   |            | 0.06616    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335926.0 ave      335926 max      335926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335926
Ave neighs/atom = 167.96300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -8040.9713   -8040.9713   -8112.6559   -8112.6559    277.42684    277.42684    23934.431    23934.431   -2847.7906   -2847.7906 
    5000   -8043.6014   -8043.6014   -8114.0181   -8114.0181    272.52023    272.52023    23881.765    23881.765    2663.8332    2663.8332 
Loop time of 29.1204 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.967 ns/day, 8.089 hours/ns, 34.340 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    | 28.566     | 28.566     | 28.566     |   0.0 | 98.10
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12726    | 0.12726    | 0.12726    |   0.0 |  0.44
Output  | 0.00015017 | 0.00015017 | 0.00015017 |   0.0 |  0.00
Modify  | 0.35998    | 0.35998    | 0.35998    |   0.0 |  1.24
Other   |            | 0.06671    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335882.0 ave      335882 max      335882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335882
Ave neighs/atom = 167.94100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.184961420949, Press = 172.627136725509
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -8043.6014   -8043.6014   -8114.0181   -8114.0181    272.52023    272.52023    23881.765    23881.765    2663.8332    2663.8332 
    6000   -8041.7382   -8041.7382   -8112.0098   -8112.0098    271.95866    271.95866    23936.531    23936.531   -2980.6812   -2980.6812 
Loop time of 28.8036 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.000 ns/day, 8.001 hours/ns, 34.718 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    | 28.248     | 28.248     | 28.248     |   0.0 | 98.07
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12465    | 0.12465    | 0.12465    |   0.0 |  0.43
Output  | 0.00015293 | 0.00015293 | 0.00015293 |   0.0 |  0.00
Modify  | 0.36476    | 0.36476    | 0.36476    |   0.0 |  1.27
Other   |            | 0.0658     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335938.0 ave      335938 max      335938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335938
Ave neighs/atom = 167.96900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.107615501161, Press = -93.6798982011084
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -8041.7382   -8041.7382   -8112.0098   -8112.0098    271.95866    271.95866    23936.531    23936.531   -2980.6812   -2980.6812 
    7000   -8044.7189   -8044.7189   -8112.7659   -8112.7659    263.34917    263.34917    23902.992    23902.992    520.41988    520.41988 
Loop time of 29.0411 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.975 ns/day, 8.067 hours/ns, 34.434 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    | 28.476     | 28.476     | 28.476     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12607    | 0.12607    | 0.12607    |   0.0 |  0.43
Output  | 0.00015175 | 0.00015175 | 0.00015175 |   0.0 |  0.00
Modify  | 0.37261    | 0.37261    | 0.37261    |   0.0 |  1.28
Other   |            | 0.06642    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335900.0 ave      335900 max      335900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335900
Ave neighs/atom = 167.95000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 271.64947696236, Press = -5.80429020589852
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -8044.7189   -8044.7189   -8112.7659   -8112.7659    263.34917    263.34917    23902.992    23902.992    520.41988    520.41988 
    8000   -8043.1194   -8043.1194   -8111.5603   -8111.5603    264.87358    264.87358     23916.86     23916.86   -285.32971   -285.32971 
Loop time of 29.247 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.954 ns/day, 8.124 hours/ns, 34.192 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    | 28.681     | 28.681     | 28.681     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12633    | 0.12633    | 0.12633    |   0.0 |  0.43
Output  | 0.00015153 | 0.00015153 | 0.00015153 |   0.0 |  0.00
Modify  | 0.37337    | 0.37337    | 0.37337    |   0.0 |  1.28
Other   |            | 0.0661     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335942.0 ave      335942 max      335942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335942
Ave neighs/atom = 167.97100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 271.000636460866, Press = -26.1338059821624
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -8043.1194   -8043.1194   -8111.5603   -8111.5603    264.87358    264.87358     23916.86     23916.86   -285.32971   -285.32971 
    9000   -8041.0701   -8041.0701   -8110.2788   -8110.2788    267.84466    267.84466     23905.45     23905.45    539.12982    539.12982 
Loop time of 29.5939 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.920 ns/day, 8.221 hours/ns, 33.791 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    | 29.014     | 29.014     | 29.014     |   0.0 | 98.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12809    | 0.12809    | 0.12809    |   0.0 |  0.43
Output  | 0.00015468 | 0.00015468 | 0.00015468 |   0.0 |  0.00
Modify  | 0.38459    | 0.38459    | 0.38459    |   0.0 |  1.30
Other   |            | 0.06694    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335914.0 ave      335914 max      335914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335914
Ave neighs/atom = 167.95700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 271.447762406705, Press = -5.62441424828693
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -8041.0701   -8041.0701   -8110.2788   -8110.2788    267.84466    267.84466     23905.45     23905.45    539.12982    539.12982 
   10000   -8043.1934   -8043.1934   -8113.9675   -8113.9675    273.90301    273.90301    23889.819    23889.819    1596.2166    1596.2166 
Loop time of 29.2359 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.955 ns/day, 8.121 hours/ns, 34.205 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    | 28.668     | 28.668     | 28.668     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12685    | 0.12685    | 0.12685    |   0.0 |  0.43
Output  | 0.00023558 | 0.00023558 | 0.00023558 |   0.0 |  0.00
Modify  | 0.37487    | 0.37487    | 0.37487    |   0.0 |  1.28
Other   |            | 0.06637    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335904.0 ave      335904 max      335904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335904
Ave neighs/atom = 167.95200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 271.74622630043, Press = -10.8107163555333
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -8043.1934   -8043.1934   -8113.9675   -8113.9675    273.90301    273.90301    23889.819    23889.819    1596.2166    1596.2166 
   11000   -8039.6213   -8039.6213   -8110.6572   -8110.6572    274.91605    274.91605    23928.371    23928.371   -1716.8462   -1716.8462 
Loop time of 29.7785 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.901 ns/day, 8.272 hours/ns, 33.581 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    | 29.198     | 29.198     | 29.198     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12864    | 0.12864    | 0.12864    |   0.0 |  0.43
Output  | 0.00015215 | 0.00015215 | 0.00015215 |   0.0 |  0.00
Modify  | 0.38588    | 0.38588    | 0.38588    |   0.0 |  1.30
Other   |            | 0.06592    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335916.0 ave      335916 max      335916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335916
Ave neighs/atom = 167.95800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.09924400589, Press = 3.29324950390081
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -8039.6213   -8039.6213   -8110.6572   -8110.6572    274.91605    274.91605    23928.371    23928.371   -1716.8462   -1716.8462 
   12000   -8042.0081   -8042.0081   -8112.5356   -8112.5356     272.9485     272.9485    23922.861    23922.861   -1929.0122   -1929.0122 
Loop time of 29.2169 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.957 ns/day, 8.116 hours/ns, 34.227 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.654     | 28.654     | 28.654     |   0.0 | 98.07
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12558    | 0.12558    | 0.12558    |   0.0 |  0.43
Output  | 0.00015277 | 0.00015277 | 0.00015277 |   0.0 |  0.00
Modify  | 0.37119    | 0.37119    | 0.37119    |   0.0 |  1.27
Other   |            | 0.06598    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335882.0 ave      335882 max      335882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335882
Ave neighs/atom = 167.94100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.385678649854, Press = -6.82134559732059
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -8042.0081   -8042.0081   -8112.5356   -8112.5356     272.9485     272.9485    23922.861    23922.861   -1929.0122   -1929.0122 
   13000   -8042.3847   -8042.3847   -8113.3176   -8113.3176    274.51752    274.51752    23868.337    23868.337    4070.4209    4070.4209 
Loop time of 29.2675 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.952 ns/day, 8.130 hours/ns, 34.168 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    | 28.698     | 28.698     | 28.698     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12635    | 0.12635    | 0.12635    |   0.0 |  0.43
Output  | 0.00018679 | 0.00018679 | 0.00018679 |   0.0 |  0.00
Modify  | 0.37708    | 0.37708    | 0.37708    |   0.0 |  1.29
Other   |            | 0.0663     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335906.0 ave      335906 max      335906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335906
Ave neighs/atom = 167.95300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.818280509889, Press = 2.32014985781347
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -8042.3847   -8042.3847   -8113.3176   -8113.3176    274.51752    274.51752    23868.337    23868.337    4070.4209    4070.4209 
   14000   -8041.0837   -8041.0837   -8110.7301   -8110.7301    269.53874    269.53874    23932.756    23932.756   -2660.4955   -2660.4955 
Loop time of 29.0593 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.973 ns/day, 8.072 hours/ns, 34.412 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    | 28.496     | 28.496     | 28.496     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12575    | 0.12575    | 0.12575    |   0.0 |  0.43
Output  | 0.00026796 | 0.00026796 | 0.00026796 |   0.0 |  0.00
Modify  | 0.37061    | 0.37061    | 0.37061    |   0.0 |  1.28
Other   |            | 0.06646    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335940.0 ave      335940 max      335940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335940
Ave neighs/atom = 167.97000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.974463098503, Press = -13.036732157635
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -8041.0837   -8041.0837   -8110.7301   -8110.7301    269.53874    269.53874    23932.756    23932.756   -2660.4955   -2660.4955 
   15000   -8042.0191   -8042.0191   -8112.6211   -8112.6211    273.23724    273.23724    23917.889    23917.889   -722.54852   -722.54852 
Loop time of 29.6655 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.912 ns/day, 8.240 hours/ns, 33.709 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    | 29.091     | 29.091     | 29.091     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12826    | 0.12826    | 0.12826    |   0.0 |  0.43
Output  | 0.00029807 | 0.00029807 | 0.00029807 |   0.0 |  0.00
Modify  | 0.37975    | 0.37975    | 0.37975    |   0.0 |  1.28
Other   |            | 0.06663    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335908.0 ave      335908 max      335908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335908
Ave neighs/atom = 167.95400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.1933403122, Press = 2.36864632934923
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -8042.0191   -8042.0191   -8112.6211   -8112.6211    273.23724    273.23724    23917.889    23917.889   -722.54852   -722.54852 
   16000   -8041.1887   -8041.1887   -8111.7069   -8111.7069    272.91266    272.91266    23928.614    23928.614   -2008.0935   -2008.0935 
Loop time of 29.149 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.964 ns/day, 8.097 hours/ns, 34.306 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    | 28.579     | 28.579     | 28.579     |   0.0 | 98.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12716    | 0.12716    | 0.12716    |   0.0 |  0.44
Output  | 0.0001535  | 0.0001535  | 0.0001535  |   0.0 |  0.00
Modify  | 0.37676    | 0.37676    | 0.37676    |   0.0 |  1.29
Other   |            | 0.06611    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335910.0 ave      335910 max      335910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335910
Ave neighs/atom = 167.95500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.173131041912, Press = -8.55613469101231
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -8041.1887   -8041.1887   -8111.7069   -8111.7069    272.91266    272.91266    23928.614    23928.614   -2008.0935   -2008.0935 
   17000   -8042.5278   -8042.5278   -8113.2423   -8113.2423    273.67229    273.67229    23904.044    23904.044    661.16626    661.16626 
Loop time of 29.2672 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.952 ns/day, 8.130 hours/ns, 34.168 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    | 28.698     | 28.698     | 28.698     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12668    | 0.12668    | 0.12668    |   0.0 |  0.43
Output  | 0.00015328 | 0.00015328 | 0.00015328 |   0.0 |  0.00
Modify  | 0.3764     | 0.3764     | 0.3764     |   0.0 |  1.29
Other   |            | 0.0664     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335912.0 ave      335912 max      335912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335912
Ave neighs/atom = 167.95600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.307841435432, Press = 2.71783192824717
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -8042.5278   -8042.5278   -8113.2423   -8113.2423    273.67229    273.67229    23904.044    23904.044    661.16626    661.16626 
   18000   -8037.3716   -8037.3716   -8112.0741   -8112.0741    289.10645    289.10645     23938.77     23938.77   -2188.5771   -2188.5771 
Loop time of 29.1811 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.961 ns/day, 8.106 hours/ns, 34.269 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    | 28.61      | 28.61      | 28.61      |   0.0 | 98.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12757    | 0.12757    | 0.12757    |   0.0 |  0.44
Output  | 0.0001562  | 0.0001562  | 0.0001562  |   0.0 |  0.00
Modify  | 0.37663    | 0.37663    | 0.37663    |   0.0 |  1.29
Other   |            | 0.06652    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335916.0 ave      335916 max      335916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335916
Ave neighs/atom = 167.95800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.38107788298, Press = -4.60809736748045
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -8037.3716   -8037.3716   -8112.0741   -8112.0741    289.10645    289.10645     23938.77     23938.77   -2188.5771   -2188.5771 
   19000   -8043.9941   -8043.9941    -8115.115    -8115.115    275.24526    275.24526     23895.63     23895.63    1618.6872    1618.6872 
Loop time of 28.9525 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.984 ns/day, 8.042 hours/ns, 34.539 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.389     | 28.389     | 28.389     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12564    | 0.12564    | 0.12564    |   0.0 |  0.43
Output  | 0.00014877 | 0.00014877 | 0.00014877 |   0.0 |  0.00
Modify  | 0.37107    | 0.37107    | 0.37107    |   0.0 |  1.28
Other   |            | 0.06652    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335898.0 ave      335898 max      335898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335898
Ave neighs/atom = 167.94900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.484991378018, Press = 0.148257780624315
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -8043.9941   -8043.9941    -8115.115    -8115.115    275.24526    275.24526     23895.63     23895.63    1618.6872    1618.6872 
   20000   -8041.0441   -8041.0441    -8111.567    -8111.567    272.93071    272.93071    23913.617    23913.617   -995.86134   -995.86134 
Loop time of 29.2959 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.949 ns/day, 8.138 hours/ns, 34.134 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    | 28.721     | 28.721     | 28.721     |   0.0 | 98.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12776    | 0.12776    | 0.12776    |   0.0 |  0.44
Output  | 0.00015666 | 0.00015666 | 0.00015666 |   0.0 |  0.00
Modify  | 0.38047    | 0.38047    | 0.38047    |   0.0 |  1.30
Other   |            | 0.06672    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335966.0 ave      335966 max      335966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335966
Ave neighs/atom = 167.98300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.424831854419, Press = -1.49146730534925
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -8041.0441   -8041.0441    -8111.567    -8111.567    272.93071    272.93071    23913.617    23913.617   -995.86134   -995.86134 
   21000   -8041.8307   -8041.8307   -8111.5219   -8111.5219    269.71226    269.71226    23926.579    23926.579   -1799.2766   -1799.2766 
Loop time of 28.5313 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.028 ns/day, 7.925 hours/ns, 35.049 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    | 27.98      | 27.98      | 27.98      |   0.0 | 98.07
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12268    | 0.12268    | 0.12268    |   0.0 |  0.43
Output  | 0.0001565  | 0.0001565  | 0.0001565  |   0.0 |  0.00
Modify  | 0.36253    | 0.36253    | 0.36253    |   0.0 |  1.27
Other   |            | 0.0656     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335896.0 ave      335896 max      335896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335896
Ave neighs/atom = 167.94800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.561807884818, Press = -6.21314311411901
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -8041.8307   -8041.8307   -8111.5219   -8111.5219    269.71226    269.71226    23926.579    23926.579   -1799.2766   -1799.2766 
   22000   -8039.8425   -8039.8425   -8111.6723   -8111.6723    277.98871    277.98871    23883.717    23883.717    2141.9034    2141.9034 
Loop time of 28.6017 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.021 ns/day, 7.945 hours/ns, 34.963 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    | 28.046     | 28.046     | 28.046     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12391    | 0.12391    | 0.12391    |   0.0 |  0.43
Output  | 0.000156   | 0.000156   | 0.000156   |   0.0 |  0.00
Modify  | 0.36519    | 0.36519    | 0.36519    |   0.0 |  1.28
Other   |            | 0.06668    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335914.0 ave      335914 max      335914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335914
Ave neighs/atom = 167.95700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.592380151392, Press = 0.52186070389062
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -8039.8425   -8039.8425   -8111.6723   -8111.6723    277.98871    277.98871    23883.717    23883.717    2141.9034    2141.9034 
   23000   -8042.2949   -8042.2949     -8111.89     -8111.89    269.34023    269.34023    23933.894    23933.894   -1725.2842   -1725.2842 
Loop time of 28.9694 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.982 ns/day, 8.047 hours/ns, 34.519 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    | 28.403     | 28.403     | 28.403     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12498    | 0.12498    | 0.12498    |   0.0 |  0.43
Output  | 0.00015688 | 0.00015688 | 0.00015688 |   0.0 |  0.00
Modify  | 0.37504    | 0.37504    | 0.37504    |   0.0 |  1.29
Other   |            | 0.06575    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335918.0 ave      335918 max      335918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335918
Ave neighs/atom = 167.95900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.589177352452, Press = -3.58930830473135
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -8042.2949   -8042.2949     -8111.89     -8111.89    269.34023    269.34023    23933.894    23933.894   -1725.2842   -1725.2842 
   24000   -8040.7296   -8040.7296   -8110.1688   -8110.1688    268.73693    268.73693    23880.067    23880.067    2506.6531    2506.6531 
Loop time of 29.1429 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.965 ns/day, 8.095 hours/ns, 34.314 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.574     | 28.574     | 28.574     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12619    | 0.12619    | 0.12619    |   0.0 |  0.43
Output  | 0.00015278 | 0.00015278 | 0.00015278 |   0.0 |  0.00
Modify  | 0.37567    | 0.37567    | 0.37567    |   0.0 |  1.29
Other   |            | 0.06706    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335914.0 ave      335914 max      335914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335914
Ave neighs/atom = 167.95700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.577716010549, Press = -1.46877228662971
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -8040.7296   -8040.7296   -8110.1688   -8110.1688    268.73693    268.73693    23880.067    23880.067    2506.6531    2506.6531 
   25000   -8043.6903   -8043.6903   -8112.8034   -8112.8034    267.47499    267.47499    23932.768    23932.768    -2178.101    -2178.101 
Loop time of 28.9552 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.984 ns/day, 8.043 hours/ns, 34.536 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    | 28.39      | 28.39      | 28.39      |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12607    | 0.12607    | 0.12607    |   0.0 |  0.44
Output  | 0.00019461 | 0.00019461 | 0.00019461 |   0.0 |  0.00
Modify  | 0.37255    | 0.37255    | 0.37255    |   0.0 |  1.29
Other   |            | 0.06603    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335894.0 ave      335894 max      335894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335894
Ave neighs/atom = 167.94700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.531349239887, Press = -3.38963664147435
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -8043.6903   -8043.6903   -8112.8034   -8112.8034    267.47499    267.47499    23932.768    23932.768    -2178.101    -2178.101 
   26000   -8040.0263   -8040.0263   -8111.6892   -8111.6892      277.343      277.343    23898.157    23898.157    1002.4669    1002.4669 
Loop time of 29.4621 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.933 ns/day, 8.184 hours/ns, 33.942 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    | 28.887     | 28.887     | 28.887     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12829    | 0.12829    | 0.12829    |   0.0 |  0.44
Output  | 0.00015795 | 0.00015795 | 0.00015795 |   0.0 |  0.00
Modify  | 0.38054    | 0.38054    | 0.38054    |   0.0 |  1.29
Other   |            | 0.06633    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335882.0 ave      335882 max      335882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335882
Ave neighs/atom = 167.94100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.523735397365, Press = -1.40916697061791
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -8040.0263   -8040.0263   -8111.6892   -8111.6892      277.343      277.343    23898.157    23898.157    1002.4669    1002.4669 
   27000   -8043.2811   -8043.2811   -8113.3197   -8113.3197    271.05646    271.05646    23899.293    23899.293    1090.3818    1090.3818 
Loop time of 28.7886 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.001 ns/day, 7.997 hours/ns, 34.736 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    | 28.229     | 28.229     | 28.229     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12534    | 0.12534    | 0.12534    |   0.0 |  0.44
Output  | 0.00019873 | 0.00019873 | 0.00019873 |   0.0 |  0.00
Modify  | 0.36793    | 0.36793    | 0.36793    |   0.0 |  1.28
Other   |            | 0.06649    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335906.0 ave      335906 max      335906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335906
Ave neighs/atom = 167.95300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.576567520381, Press = 0.302331417221497
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -8043.2811   -8043.2811   -8113.3197   -8113.3197    271.05646    271.05646    23899.293    23899.293    1090.3818    1090.3818 
   28000   -8042.1708   -8042.1708   -8114.3301   -8114.3301    279.26401    279.26401    23924.737    23924.737   -1319.1027   -1319.1027 
Loop time of 28.8186 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.998 ns/day, 8.005 hours/ns, 34.700 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    | 28.261     | 28.261     | 28.261     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12429    | 0.12429    | 0.12429    |   0.0 |  0.43
Output  | 0.00015203 | 0.00015203 | 0.00015203 |   0.0 |  0.00
Modify  | 0.36775    | 0.36775    | 0.36775    |   0.0 |  1.28
Other   |            | 0.06566    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335918.0 ave      335918 max      335918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335918
Ave neighs/atom = 167.95900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.489011872589, Press = -6.35327924276965
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -8042.1708   -8042.1708   -8114.3301   -8114.3301    279.26401    279.26401    23924.737    23924.737   -1319.1027   -1319.1027 
   29000   -8039.3602   -8039.3602   -8109.6674   -8109.6674    272.09616    272.09616    23890.565    23890.565    2331.5941    2331.5941 
Loop time of 29.1507 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.964 ns/day, 8.097 hours/ns, 34.304 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    | 28.581     | 28.581     | 28.581     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1268     | 0.1268     | 0.1268     |   0.0 |  0.43
Output  | 0.00020109 | 0.00020109 | 0.00020109 |   0.0 |  0.00
Modify  | 0.3756     | 0.3756     | 0.3756     |   0.0 |  1.29
Other   |            | 0.0668     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335940.0 ave      335940 max      335940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335940
Ave neighs/atom = 167.97000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.569246849781, Press = 1.06262508753642
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -8039.3602   -8039.3602   -8109.6674   -8109.6674    272.09616    272.09616    23890.565    23890.565    2331.5941    2331.5941 
   30000   -8043.0684   -8043.0684    -8114.347    -8114.347    275.85559    275.85559    23920.623    23920.623   -961.68616   -961.68616 
Loop time of 28.7496 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.005 ns/day, 7.986 hours/ns, 34.783 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    | 28.188     | 28.188     | 28.188     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12499    | 0.12499    | 0.12499    |   0.0 |  0.43
Output  | 0.00015481 | 0.00015481 | 0.00015481 |   0.0 |  0.00
Modify  | 0.37046    | 0.37046    | 0.37046    |   0.0 |  1.29
Other   |            | 0.06639    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335896.0 ave      335896 max      335896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335896
Ave neighs/atom = 167.94800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.539330713176, Press = -0.830676282195256
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -8043.0684   -8043.0684    -8114.347    -8114.347    275.85559    275.85559    23920.623    23920.623   -961.68616   -961.68616 
   31000   -8044.2886   -8044.2886   -8113.0482   -8113.0482    266.10646    266.10646    23882.631    23882.631    3026.1184    3026.1184 
Loop time of 28.6929 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.011 ns/day, 7.970 hours/ns, 34.852 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    | 28.135     | 28.135     | 28.135     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12509    | 0.12509    | 0.12509    |   0.0 |  0.44
Output  | 0.00015306 | 0.00015306 | 0.00015306 |   0.0 |  0.00
Modify  | 0.36592    | 0.36592    | 0.36592    |   0.0 |  1.28
Other   |            | 0.0666     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335940.0 ave      335940 max      335940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335940
Ave neighs/atom = 167.97000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.510156059015, Press = -2.50715975868853
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -8044.2886   -8044.2886   -8113.0482   -8113.0482    266.10646    266.10646    23882.631    23882.631    3026.1184    3026.1184 
   32000    -8042.448    -8042.448   -8113.5723   -8113.5723    275.25831    275.25831    23942.203    23942.203   -2654.6838   -2654.6838 
Loop time of 28.5833 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.023 ns/day, 7.940 hours/ns, 34.985 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    | 28.032     | 28.032     | 28.032     |   0.0 | 98.07
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12334    | 0.12334    | 0.12334    |   0.0 |  0.43
Output  | 0.00015356 | 0.00015356 | 0.00015356 |   0.0 |  0.00
Modify  | 0.363      | 0.363      | 0.363      |   0.0 |  1.27
Other   |            | 0.06512    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335922.0 ave      335922 max      335922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335922
Ave neighs/atom = 167.96100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.499877432539, Press = 0.806867615868164
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000    -8042.448    -8042.448   -8113.5723   -8113.5723    275.25831    275.25831    23942.203    23942.203   -2654.6838   -2654.6838 
   33000   -8041.9874   -8041.9874   -8112.2152   -8112.2152    271.78854    271.78854    23892.519    23892.519    1842.9145    1842.9145 
Loop time of 28.8125 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.999 ns/day, 8.003 hours/ns, 34.707 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.253     | 28.253     | 28.253     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12515    | 0.12515    | 0.12515    |   0.0 |  0.43
Output  | 0.00018966 | 0.00018966 | 0.00018966 |   0.0 |  0.00
Modify  | 0.36875    | 0.36875    | 0.36875    |   0.0 |  1.28
Other   |            | 0.06571    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335910.0 ave      335910 max      335910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335910
Ave neighs/atom = 167.95500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.481303842685, Press = -1.24284518216072
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -8041.9874   -8041.9874   -8112.2152   -8112.2152    271.78854    271.78854    23892.519    23892.519    1842.9145    1842.9145 
   34000   -8044.2575   -8044.2575   -8115.6348   -8115.6348     276.2375     276.2375    23940.524    23940.524   -2481.3701   -2481.3701 
Loop time of 28.4787 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.034 ns/day, 7.911 hours/ns, 35.114 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    | 27.929     | 27.929     | 27.929     |   0.0 | 98.07
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12285    | 0.12285    | 0.12285    |   0.0 |  0.43
Output  | 0.00015234 | 0.00015234 | 0.00015234 |   0.0 |  0.00
Modify  | 0.36129    | 0.36129    | 0.36129    |   0.0 |  1.27
Other   |            | 0.06535    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335906.0 ave      335906 max      335906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335906
Ave neighs/atom = 167.95300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.461782108142, Press = -1.80339993465637
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -8044.2575   -8044.2575   -8115.6348   -8115.6348     276.2375     276.2375    23940.524    23940.524   -2481.3701   -2481.3701 
   35000   -8041.6131   -8041.6131   -8112.4195   -8112.4195    274.02809    274.02809    23888.216    23888.216    2361.8498    2361.8498 
Loop time of 28.7672 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.003 ns/day, 7.991 hours/ns, 34.762 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    | 28.209     | 28.209     | 28.209     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12512    | 0.12512    | 0.12512    |   0.0 |  0.43
Output  | 0.00015399 | 0.00015399 | 0.00015399 |   0.0 |  0.00
Modify  | 0.36733    | 0.36733    | 0.36733    |   0.0 |  1.28
Other   |            | 0.0658     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335930.0 ave      335930 max      335930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335930
Ave neighs/atom = 167.96500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.489655248075, Press = -1.79982288014194
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -8041.6131   -8041.6131   -8112.4195   -8112.4195    274.02809    274.02809    23888.216    23888.216    2361.8498    2361.8498 
   36000   -8042.7963   -8042.7963   -8113.7285   -8113.7285    274.51489    274.51489    23930.368    23930.368   -1948.8938   -1948.8938 
Loop time of 28.6012 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.021 ns/day, 7.945 hours/ns, 34.964 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    | 28.047     | 28.047     | 28.047     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12409    | 0.12409    | 0.12409    |   0.0 |  0.43
Output  | 0.00015301 | 0.00015301 | 0.00015301 |   0.0 |  0.00
Modify  | 0.36458    | 0.36458    | 0.36458    |   0.0 |  1.27
Other   |            | 0.0656     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335916.0 ave      335916 max      335916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335916
Ave neighs/atom = 167.95800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.522804309173, Press = 0.140976568365664
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -8042.7963   -8042.7963   -8113.7285   -8113.7285    274.51489    274.51489    23930.368    23930.368   -1948.8938   -1948.8938 
   37000   -8040.1798   -8040.1798   -8110.5526   -8110.5526    272.34982    272.34982    23906.147    23906.147    459.32218    459.32218 
Loop time of 28.8795 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.992 ns/day, 8.022 hours/ns, 34.627 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    | 28.32      | 28.32      | 28.32      |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12451    | 0.12451    | 0.12451    |   0.0 |  0.43
Output  | 0.00049031 | 0.00049031 | 0.00049031 |   0.0 |  0.00
Modify  | 0.36871    | 0.36871    | 0.36871    |   0.0 |  1.28
Other   |            | 0.06554    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335904.0 ave      335904 max      335904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335904
Ave neighs/atom = 167.95200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.594578372095, Press = -1.0146339493172
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -8040.1798   -8040.1798   -8110.5526   -8110.5526    272.34982    272.34982    23906.147    23906.147    459.32218    459.32218 
   38000   -8040.2385   -8040.2385   -8110.8966   -8110.8966    273.45392    273.45392    23898.219    23898.219    837.19021    837.19021 
Loop time of 28.943 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.985 ns/day, 8.040 hours/ns, 34.551 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    | 28.377     | 28.377     | 28.377     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12556    | 0.12556    | 0.12556    |   0.0 |  0.43
Output  | 0.00015493 | 0.00015493 | 0.00015493 |   0.0 |  0.00
Modify  | 0.37361    | 0.37361    | 0.37361    |   0.0 |  1.29
Other   |            | 0.06629    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335902.0 ave      335902 max      335902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335902
Ave neighs/atom = 167.95100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.588358670676, Press = 0.987544325880234
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -8040.2385   -8040.2385   -8110.8966   -8110.8966    273.45392    273.45392    23898.219    23898.219    837.19021    837.19021 
   39000   -8043.7044   -8043.7044   -8113.1837   -8113.1837    268.89235    268.89235    23923.579    23923.579   -2085.8761   -2085.8761 
Loop time of 28.7893 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.001 ns/day, 7.997 hours/ns, 34.735 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    | 28.23      | 28.23      | 28.23      |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12432    | 0.12432    | 0.12432    |   0.0 |  0.43
Output  | 0.00015293 | 0.00015293 | 0.00015293 |   0.0 |  0.00
Modify  | 0.36884    | 0.36884    | 0.36884    |   0.0 |  1.28
Other   |            | 0.06631    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335904.0 ave      335904 max      335904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335904
Ave neighs/atom = 167.95200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.541737937113, Press = -2.32973131803819
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -8043.7044   -8043.7044   -8113.1837   -8113.1837    268.89235    268.89235    23923.579    23923.579   -2085.8761   -2085.8761 
   40000   -8041.0137   -8041.0137   -8111.7842   -8111.7842    273.88913    273.88913    23900.527    23900.527    1127.8018    1127.8018 
Loop time of 28.6418 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.017 ns/day, 7.956 hours/ns, 34.914 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    | 28.086     | 28.086     | 28.086     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12349    | 0.12349    | 0.12349    |   0.0 |  0.43
Output  | 0.00019811 | 0.00019811 | 0.00019811 |   0.0 |  0.00
Modify  | 0.36633    | 0.36633    | 0.36633    |   0.0 |  1.28
Other   |            | 0.06629    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335908.0 ave      335908 max      335908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335908
Ave neighs/atom = 167.95400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.493122271889, Press = 1.43027865841158
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -8041.0137   -8041.0137   -8111.7842   -8111.7842    273.88913    273.88913    23900.527    23900.527    1127.8018    1127.8018 
   41000   -8039.6583   -8039.6583   -8111.6002   -8111.6002    278.42263    278.42263    23924.087    23924.087   -1306.2672   -1306.2672 
Loop time of 28.9 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.990 ns/day, 8.028 hours/ns, 34.602 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    | 28.34      | 28.34      | 28.34      |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1246     | 0.1246     | 0.1246     |   0.0 |  0.43
Output  | 0.00015449 | 0.00015449 | 0.00015449 |   0.0 |  0.00
Modify  | 0.36968    | 0.36968    | 0.36968    |   0.0 |  1.28
Other   |            | 0.06525    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335886.0 ave      335886 max      335886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335886
Ave neighs/atom = 167.94300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.471691719507, Press = -2.01940798156352
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -8039.6583   -8039.6583   -8111.6002   -8111.6002    278.42263    278.42263    23924.087    23924.087   -1306.2672   -1306.2672 
   42000   -8042.7867   -8042.7867   -8112.2982   -8112.2982    269.01693    269.01693    23890.217    23890.217    1608.2842    1608.2842 
Loop time of 28.9608 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.983 ns/day, 8.045 hours/ns, 34.529 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    | 28.401     | 28.401     | 28.401     |   0.0 | 98.07
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12452    | 0.12452    | 0.12452    |   0.0 |  0.43
Output  | 0.0001545  | 0.0001545  | 0.0001545  |   0.0 |  0.00
Modify  | 0.36978    | 0.36978    | 0.36978    |   0.0 |  1.28
Other   |            | 0.06563    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335902.0 ave      335902 max      335902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335902
Ave neighs/atom = 167.95100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.521520780537, Press = 0.954898082307365
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -8042.7867   -8042.7867   -8112.2982   -8112.2982    269.01693    269.01693    23890.217    23890.217    1608.2842    1608.2842 
   43000   -8037.5794   -8037.5794   -8110.4809   -8110.4809    282.13614    282.13614    23935.606    23935.606   -2938.7651   -2938.7651 
Loop time of 29.6383 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.915 ns/day, 8.233 hours/ns, 33.740 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    | 29.058     | 29.058     | 29.058     |   0.0 | 98.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12947    | 0.12947    | 0.12947    |   0.0 |  0.44
Output  | 0.00015477 | 0.00015477 | 0.00015477 |   0.0 |  0.00
Modify  | 0.38474    | 0.38474    | 0.38474    |   0.0 |  1.30
Other   |            | 0.06612    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335910.0 ave      335910 max      335910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335910
Ave neighs/atom = 167.95500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.55258657067, Press = -1.19039460573594
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -8037.5794   -8037.5794   -8110.4809   -8110.4809    282.13614    282.13614    23935.606    23935.606   -2938.7651   -2938.7651 
   44000   -8043.9108   -8043.9108   -8113.9687   -8113.9687    271.13128    271.13128     23880.37     23880.37    2997.9732    2997.9732 
Loop time of 28.7596 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.004 ns/day, 7.989 hours/ns, 34.771 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    | 28.201     | 28.201     | 28.201     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12418    | 0.12418    | 0.12418    |   0.0 |  0.43
Output  | 0.00015341 | 0.00015341 | 0.00015341 |   0.0 |  0.00
Modify  | 0.36861    | 0.36861    | 0.36861    |   0.0 |  1.28
Other   |            | 0.06533    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335900.0 ave      335900 max      335900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335900
Ave neighs/atom = 167.95000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.564505340716, Press = -0.461422725153161
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -8043.9108   -8043.9108   -8113.9687   -8113.9687    271.13128    271.13128     23880.37     23880.37    2997.9732    2997.9732 
   45000   -8041.2657   -8041.2657   -8113.4081   -8113.4081    279.19849    279.19849    23908.446    23908.446   -14.494481   -14.494481 
Loop time of 28.8617 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.994 ns/day, 8.017 hours/ns, 34.648 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.301     | 28.301     | 28.301     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12333    | 0.12333    | 0.12333    |   0.0 |  0.43
Output  | 0.00015801 | 0.00015801 | 0.00015801 |   0.0 |  0.00
Modify  | 0.3716     | 0.3716     | 0.3716     |   0.0 |  1.29
Other   |            | 0.0658     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335940.0 ave      335940 max      335940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335940
Ave neighs/atom = 167.97000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.530277025521, Press = -0.549285304917614
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -8041.2657   -8041.2657   -8113.4081   -8113.4081    279.19849    279.19849    23908.446    23908.446   -14.494481   -14.494481 
   46000   -8044.0058   -8044.0058   -8114.4638   -8114.4638    272.67989    272.67989    23904.266    23904.266     499.9853     499.9853 
Loop time of 29.045 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.975 ns/day, 8.068 hours/ns, 34.429 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    | 28.48      | 28.48      | 28.48      |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12681    | 0.12681    | 0.12681    |   0.0 |  0.44
Output  | 0.00015725 | 0.00015725 | 0.00015725 |   0.0 |  0.00
Modify  | 0.37216    | 0.37216    | 0.37216    |   0.0 |  1.28
Other   |            | 0.06584    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335922.0 ave      335922 max      335922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335922
Ave neighs/atom = 167.96100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.468256409959, Press = -0.539281405102202
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -8044.0058   -8044.0058   -8114.4638   -8114.4638    272.67989    272.67989    23904.266    23904.266     499.9853     499.9853 
   47000   -8042.8891   -8042.8891   -8113.2237   -8113.2237    272.20209    272.20209    23894.835    23894.835    1140.1842    1140.1842 
Loop time of 29.0546 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.974 ns/day, 8.071 hours/ns, 34.418 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    | 28.488     | 28.488     | 28.488     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12733    | 0.12733    | 0.12733    |   0.0 |  0.44
Output  | 0.00015391 | 0.00015391 | 0.00015391 |   0.0 |  0.00
Modify  | 0.37427    | 0.37427    | 0.37427    |   0.0 |  1.29
Other   |            | 0.06525    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335884.0 ave      335884 max      335884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335884
Ave neighs/atom = 167.94200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.416171950072, Press = -1.83451545315469
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -8042.8891   -8042.8891   -8113.2237   -8113.2237    272.20209    272.20209    23894.835    23894.835    1140.1842    1140.1842 
   48000   -8042.1794   -8042.1794   -8112.1173   -8112.1173    270.66706    270.66706    23958.717    23958.717    -5082.616    -5082.616 
Loop time of 29.2653 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.952 ns/day, 8.129 hours/ns, 34.170 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    | 28.691     | 28.691     | 28.691     |   0.0 | 98.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12793    | 0.12793    | 0.12793    |   0.0 |  0.44
Output  | 0.00015455 | 0.00015455 | 0.00015455 |   0.0 |  0.00
Modify  | 0.37989    | 0.37989    | 0.37989    |   0.0 |  1.30
Other   |            | 0.06601    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335902.0 ave      335902 max      335902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335902
Ave neighs/atom = 167.95100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.390101038755, Press = 0.286089906829386
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -8042.1794   -8042.1794   -8112.1173   -8112.1173    270.66706    270.66706    23958.717    23958.717    -5082.616    -5082.616 
   49000   -8039.4181   -8039.4181   -8112.1024   -8112.1024    281.29596    281.29596    23884.486    23884.486    2047.6415    2047.6415 
Loop time of 29.5379 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.925 ns/day, 8.205 hours/ns, 33.855 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    | 28.962     | 28.962     | 28.962     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1283     | 0.1283     | 0.1283     |   0.0 |  0.43
Output  | 0.00015756 | 0.00015756 | 0.00015756 |   0.0 |  0.00
Modify  | 0.38086    | 0.38086    | 0.38086    |   0.0 |  1.29
Other   |            | 0.06669    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335872.0 ave      335872 max      335872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335872
Ave neighs/atom = 167.93600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.372352516807, Press = -0.419234825974346
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -8039.4181   -8039.4181   -8112.1024   -8112.1024    281.29596    281.29596    23884.486    23884.486    2047.6415    2047.6415 
   50000   -8042.3926   -8042.3926   -8112.7933   -8112.7933    272.45764    272.45764    23900.458    23900.458    776.33789    776.33789 
Loop time of 28.9883 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.981 ns/day, 8.052 hours/ns, 34.497 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    | 28.425     | 28.425     | 28.425     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12467    | 0.12467    | 0.12467    |   0.0 |  0.43
Output  | 0.00015282 | 0.00015282 | 0.00015282 |   0.0 |  0.00
Modify  | 0.37261    | 0.37261    | 0.37261    |   0.0 |  1.29
Other   |            | 0.06627    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335882.0 ave      335882 max      335882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335882
Ave neighs/atom = 167.94100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.413387017177, Press = -0.680608357425598
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -8042.3926   -8042.3926   -8112.7933   -8112.7933    272.45764    272.45764    23900.458    23900.458    776.33789    776.33789 
   51000   -8041.3813   -8041.3813    -8111.328    -8111.328    270.70122    270.70122    23898.018    23898.018    735.56675    735.56675 
Loop time of 29.2902 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.950 ns/day, 8.136 hours/ns, 34.141 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    | 28.719     | 28.719     | 28.719     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12797    | 0.12797    | 0.12797    |   0.0 |  0.44
Output  | 0.00015962 | 0.00015962 | 0.00015962 |   0.0 |  0.00
Modify  | 0.37709    | 0.37709    | 0.37709    |   0.0 |  1.29
Other   |            | 0.06572    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335876.0 ave      335876 max      335876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335876
Ave neighs/atom = 167.93800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.397651309447, Press = 0.242718338957885
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -8041.3813   -8041.3813    -8111.328    -8111.328    270.70122    270.70122    23898.018    23898.018    735.56675    735.56675 
   52000   -8044.8866   -8044.8866   -8115.2067   -8115.2067    272.14609    272.14609    23890.078    23890.078    2072.4276    2072.4276 
Loop time of 29.0853 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.971 ns/day, 8.079 hours/ns, 34.382 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    | 28.519     | 28.519     | 28.519     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12635    | 0.12635    | 0.12635    |   0.0 |  0.43
Output  | 0.00014981 | 0.00014981 | 0.00014981 |   0.0 |  0.00
Modify  | 0.37356    | 0.37356    | 0.37356    |   0.0 |  1.28
Other   |            | 0.0661     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335894.0 ave      335894 max      335894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335894
Ave neighs/atom = 167.94700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.360701027421, Press = -0.869763446420803
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -8044.8866   -8044.8866   -8115.2067   -8115.2067    272.14609    272.14609    23890.078    23890.078    2072.4276    2072.4276 
   53000   -8039.5966   -8039.5966   -8111.4235   -8111.4235    277.97743    277.97743    23910.356    23910.356   -381.53241   -381.53241 
Loop time of 28.6873 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.012 ns/day, 7.969 hours/ns, 34.859 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    | 28.13      | 28.13      | 28.13      |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12403    | 0.12403    | 0.12403    |   0.0 |  0.43
Output  | 0.00019802 | 0.00019802 | 0.00019802 |   0.0 |  0.00
Modify  | 0.36718    | 0.36718    | 0.36718    |   0.0 |  1.28
Other   |            | 0.06603    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335904.0 ave      335904 max      335904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335904
Ave neighs/atom = 167.95200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.342154002016, Press = -0.939915138658546
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -8039.5966   -8039.5966   -8111.4235   -8111.4235    277.97743    277.97743    23910.356    23910.356   -381.53241   -381.53241 
   54000   -8043.9527   -8043.9527   -8113.7885   -8113.7885    270.27158    270.27158    23898.213    23898.213    1164.0304    1164.0304 
Loop time of 29.3785 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.941 ns/day, 8.161 hours/ns, 34.039 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    | 28.807     | 28.807     | 28.807     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12759    | 0.12759    | 0.12759    |   0.0 |  0.43
Output  | 0.00015607 | 0.00015607 | 0.00015607 |   0.0 |  0.00
Modify  | 0.37784    | 0.37784    | 0.37784    |   0.0 |  1.29
Other   |            | 0.06616    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335902.0 ave      335902 max      335902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335902
Ave neighs/atom = 167.95100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.355448205851, Press = -0.0408742912289652
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -8043.9527   -8043.9527   -8113.7885   -8113.7885    270.27158    270.27158    23898.213    23898.213    1164.0304    1164.0304 
   55000    -8041.768    -8041.768   -8114.2258   -8114.2258    280.41929    280.41929    23896.593    23896.593    1672.4534    1672.4534 
Loop time of 28.8511 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.995 ns/day, 8.014 hours/ns, 34.661 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    | 28.293     | 28.293     | 28.293     |   0.0 | 98.07
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12438    | 0.12438    | 0.12438    |   0.0 |  0.43
Output  | 0.00020043 | 0.00020043 | 0.00020043 |   0.0 |  0.00
Modify  | 0.36732    | 0.36732    | 0.36732    |   0.0 |  1.27
Other   |            | 0.06612    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335944.0 ave      335944 max      335944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335944
Ave neighs/atom = 167.97200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.33684460778, Press = -0.935398320501747
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000    -8041.768    -8041.768   -8114.2258   -8114.2258    280.41929    280.41929    23896.593    23896.593    1672.4534    1672.4534 
   56000   -8041.3081   -8041.3081   -8114.4727   -8114.4727    283.15433    283.15433     23916.84     23916.84    -915.9877    -915.9877 
Loop time of 29.4935 on 1 procs for 1000 steps with 2000 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    | 28.915     | 28.915     | 28.915     |   0.0 | 98.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12895    | 0.12895    | 0.12895    |   0.0 |  0.44
Output  | 0.00015496 | 0.00015496 | 0.00015496 |   0.0 |  0.00
Modify  | 0.38253    | 0.38253    | 0.38253    |   0.0 |  1.30
Other   |            | 0.06692    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335922.0 ave      335922 max      335922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335922
Ave neighs/atom = 167.96100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.357777813199, Press = -0.362660764305521
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -8041.3081   -8041.3081   -8114.4727   -8114.4727    283.15433    283.15433     23916.84     23916.84    -915.9877    -915.9877 
   57000    -8041.632    -8041.632   -8114.3126   -8114.3126    281.28133    281.28133    23923.265    23923.265   -1822.0279   -1822.0279 
Loop time of 28.8067 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.999 ns/day, 8.002 hours/ns, 34.714 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    | 28.248     | 28.248     | 28.248     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12523    | 0.12523    | 0.12523    |   0.0 |  0.43
Output  | 0.00015431 | 0.00015431 | 0.00015431 |   0.0 |  0.00
Modify  | 0.36752    | 0.36752    | 0.36752    |   0.0 |  1.28
Other   |            | 0.06592    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335916.0 ave      335916 max      335916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335916
Ave neighs/atom = 167.95800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.34876152522, Press = -1.04188327511766
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000    -8041.632    -8041.632   -8114.3126   -8114.3126    281.28133    281.28133    23923.265    23923.265   -1822.0279   -1822.0279 
   58000     -8041.33     -8041.33   -8112.7786   -8112.7786    276.51368    276.51368    23931.334    23931.334   -2067.1872   -2067.1872 
Loop time of 28.6447 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.016 ns/day, 7.957 hours/ns, 34.910 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.089     | 28.089     | 28.089     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1232     | 0.1232     | 0.1232     |   0.0 |  0.43
Output  | 0.00015506 | 0.00015506 | 0.00015506 |   0.0 |  0.00
Modify  | 0.36651    | 0.36651    | 0.36651    |   0.0 |  1.28
Other   |            | 0.06617    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335944.0 ave      335944 max      335944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335944
Ave neighs/atom = 167.97200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.400466239817, Press = 1.05464539472969
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000     -8041.33     -8041.33   -8112.7786   -8112.7786    276.51368    276.51368    23931.334    23931.334   -2067.1872   -2067.1872 
   59000   -8040.2587   -8040.2587   -8112.7915   -8112.7915    280.70928    280.70928    23899.309    23899.309    876.45238    876.45238 
Loop time of 28.9007 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.990 ns/day, 8.028 hours/ns, 34.601 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    | 28.341     | 28.341     | 28.341     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1245     | 0.1245     | 0.1245     |   0.0 |  0.43
Output  | 0.00015556 | 0.00015556 | 0.00015556 |   0.0 |  0.00
Modify  | 0.36863    | 0.36863    | 0.36863    |   0.0 |  1.28
Other   |            | 0.06611    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335946.0 ave      335946 max      335946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335946
Ave neighs/atom = 167.97300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.393813601644, Press = -1.7538912092505
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -8040.2587   -8040.2587   -8112.7915   -8112.7915    280.70928    280.70928    23899.309    23899.309    876.45238    876.45238 
   60000   -8040.1134   -8040.1134   -8112.2098   -8112.2098    279.02051    279.02051    23903.063    23903.063    392.92191    392.92191 
Loop time of 28.87 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.993 ns/day, 8.019 hours/ns, 34.638 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    | 28.306     | 28.306     | 28.306     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12559    | 0.12559    | 0.12559    |   0.0 |  0.44
Output  | 0.00015841 | 0.00015841 | 0.00015841 |   0.0 |  0.00
Modify  | 0.37186    | 0.37186    | 0.37186    |   0.0 |  1.29
Other   |            | 0.06647    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335914.0 ave      335914 max      335914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335914
Ave neighs/atom = 167.95700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.39781447398, Press = 0.272372190868673
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -8040.1134   -8040.1134   -8112.2098   -8112.2098    279.02051    279.02051    23903.063    23903.063    392.92191    392.92191 
   61000   -8046.8655   -8046.8655   -8115.3133   -8115.3133     264.8999     264.8999    23897.191    23897.191    1419.1988    1419.1988 
Loop time of 28.5617 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.025 ns/day, 7.934 hours/ns, 35.012 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.009     | 28.009     | 28.009     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12317    | 0.12317    | 0.12317    |   0.0 |  0.43
Output  | 0.00015466 | 0.00015466 | 0.00015466 |   0.0 |  0.00
Modify  | 0.36367    | 0.36367    | 0.36367    |   0.0 |  1.27
Other   |            | 0.06594    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335880.0 ave      335880 max      335880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335880
Ave neighs/atom = 167.94000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.366443162084, Press = -1.83795514375522
next a
jump SELF top
variable a loop 2000
run 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 = 8 8 8
  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) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -8046.8655   -8046.8655   -8115.3133   -8115.3133     264.8999     264.8999    23897.191    23897.191    1419.1988    1419.1988 
   62000   -8041.3467   -8041.3467   -8111.8973   -8111.8973    273.03832    273.03832    23922.533    23922.533   -1033.3357   -1033.3357 
Loop time of 28.627 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.018 ns/day, 7.952 hours/ns, 34.932 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    | 28.072     | 28.072     | 28.072     |   0.0 | 98.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12456    | 0.12456    | 0.12456    |   0.0 |  0.44
Output  | 0.00019042 | 0.00019042 | 0.00019042 |   0.0 |  0.00
Modify  | 0.36435    | 0.36435    | 0.36435    |   0.0 |  1.27
Other   |            | 0.06594    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335908.0 ave      335908 max      335908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335908
Ave neighs/atom = 167.95400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T273.15.out"  else  "print 'not_converged'  file output/vol_T273.15.out"
print '${V}'  file output/vol_T273.15.out
23909.5206586819

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0