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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.5564776659011836*${_u_distance}
variable latticeconst_converted equal 3.5564776659011836*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.55647766590118
Lattice spacing in x,y,z = 3.5564777 3.5564777 3.5564777
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.564777 35.564777 35.564777)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.564777 35.564777 35.564777)
  create_atoms CPU = 0.006 seconds

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

kim_interactions C

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

kim interactions C
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_000
pair_coeff * * C
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 12.0107

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 44984.2265010191    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*1*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 44984.2265010191*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 44984.2265010191 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 313.15*${_u_temperature}
variable temp_converted equal 313.15*1
variable Tdamp_converted equal 0.1*${_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 313.15 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 313.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 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  "313.15 - 0.2"
variable      T_up  equal  "313.15 + 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_996970420049_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 = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.652 | 8.652 | 8.652 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58636.218   -58636.218       -58960       -58960       313.15       313.15    44984.227    44984.227    7687.9727    7687.9727 
    1000   -58284.033   -58284.033   -58608.893   -58608.893    314.19348    314.19348    45347.549    45347.549    -2971.463    -2971.463 
Loop time of 165.218 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.523 ns/day, 45.894 hours/ns, 6.053 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    | 163.51     | 163.51     | 163.51     |   0.0 | 98.97
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24499    | 0.24499    | 0.24499    |   0.0 |  0.15
Output  | 0.0002704  | 0.0002704  | 0.0002704  |   0.0 |  0.00
Modify  | 1.3015     | 1.3015     | 1.3015     |   0.0 |  0.79
Other   |            | 0.1613     |            |       |  0.10

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

Total # of neighbors = 688000
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -58284.033   -58284.033   -58608.893   -58608.893    314.19348    314.19348    45347.549    45347.549    -2971.463    -2971.463 
    2000   -58317.375   -58317.375   -58632.554   -58632.554    304.82921    304.82921    45287.317    45287.317    987.13627    987.13627 
Loop time of 165.593 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.522 ns/day, 45.998 hours/ns, 6.039 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    | 163.89     | 163.89     | 163.89     |   0.0 | 98.97
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24632    | 0.24632    | 0.24632    |   0.0 |  0.15
Output  | 0.00030973 | 0.00030973 | 0.00030973 |   0.0 |  0.00
Modify  | 1.291      | 1.291      | 1.291      |   0.0 |  0.78
Other   |            | 0.1616     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687454.0 ave      687454 max      687454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687454
Ave neighs/atom = 85.931750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -58317.375   -58317.375   -58632.554   -58632.554    304.82921    304.82921    45287.317    45287.317    987.13627    987.13627 
    3000   -58303.458   -58303.458   -58628.488   -58628.488    314.35636    314.35636    45301.466    45301.466    194.53384    194.53384 
Loop time of 165.876 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.077 hours/ns, 6.029 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    | 164.17     | 164.17     | 164.17     |   0.0 | 98.97
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24907    | 0.24907    | 0.24907    |   0.0 |  0.15
Output  | 0.00026475 | 0.00026475 | 0.00026475 |   0.0 |  0.00
Modify  | 1.2914     | 1.2914     | 1.2914     |   0.0 |  0.78
Other   |            | 0.1611     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687680.0 ave      687680 max      687680 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687680
Ave neighs/atom = 85.960000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58303.458   -58303.458   -58628.488   -58628.488    314.35636    314.35636    45301.466    45301.466    194.53384    194.53384 
    4000   -58306.354   -58306.354   -58630.635   -58630.635    313.63183    313.63183     45309.06     45309.06   -622.84289   -622.84289 
Loop time of 165.761 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.045 hours/ns, 6.033 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    | 164.06     | 164.06     | 164.06     |   0.0 | 98.97
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24971    | 0.24971    | 0.24971    |   0.0 |  0.15
Output  | 0.00026795 | 0.00026795 | 0.00026795 |   0.0 |  0.00
Modify  | 1.2901     | 1.2901     | 1.2901     |   0.0 |  0.78
Other   |            | 0.1614     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687668.0 ave      687668 max      687668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687668
Ave neighs/atom = 85.958500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -58306.354   -58306.354   -58630.635   -58630.635    313.63183    313.63183     45309.06     45309.06   -622.84289   -622.84289 
    5000   -58311.454   -58311.454   -58633.621   -58633.621    311.58878    311.58878    45277.835    45277.835     2064.463     2064.463 
Loop time of 168.962 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.511 ns/day, 46.934 hours/ns, 5.919 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    | 167.21     | 167.21     | 167.21     |   0.0 | 98.97
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25311    | 0.25311    | 0.25311    |   0.0 |  0.15
Output  | 0.00028913 | 0.00028913 | 0.00028913 |   0.0 |  0.00
Modify  | 1.3312     | 1.3312     | 1.3312     |   0.0 |  0.79
Other   |            | 0.1632     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687674.0 ave      687674 max      687674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687674
Ave neighs/atom = 85.959250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.453325455557, Press = -588.381980581428
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58311.454   -58311.454   -58633.621   -58633.621    311.58878    311.58878    45277.835    45277.835     2064.463     2064.463 
    6000   -58301.159   -58301.159   -58625.589   -58625.589    313.77616    313.77616    45344.056    45344.056   -3761.2904   -3761.2904 
Loop time of 187.451 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.461 ns/day, 52.070 hours/ns, 5.335 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    | 185.45     | 185.45     | 185.45     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27061    | 0.27061    | 0.27061    |   0.0 |  0.14
Output  | 0.00023472 | 0.00023472 | 0.00023472 |   0.0 |  0.00
Modify  | 1.5525     | 1.5525     | 1.5525     |   0.0 |  0.83
Other   |            | 0.1794     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687676.0 ave      687676 max      687676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687676
Ave neighs/atom = 85.959500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.734725036061, Press = -65.2097802918653
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -58301.159   -58301.159   -58625.589   -58625.589    313.77616    313.77616    45344.056    45344.056   -3761.2904   -3761.2904 
    7000   -58312.995   -58312.995   -58633.981   -58633.981    310.44588    310.44588    45264.009    45264.009    3245.1006    3245.1006 
Loop time of 175.148 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.493 ns/day, 48.652 hours/ns, 5.709 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    | 173.29     | 173.29     | 173.29     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25947    | 0.25947    | 0.25947    |   0.0 |  0.15
Output  | 0.0002319  | 0.0002319  | 0.0002319  |   0.0 |  0.00
Modify  | 1.4301     | 1.4301     | 1.4301     |   0.0 |  0.82
Other   |            | 0.1689     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687552.0 ave      687552 max      687552 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687552
Ave neighs/atom = 85.944000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.970958284222, Press = 18.0748209207279
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -58312.995   -58312.995   -58633.981   -58633.981    310.44588    310.44588    45264.009    45264.009    3245.1006    3245.1006 
    8000   -58303.081   -58303.081   -58633.849   -58633.849    319.90641    319.90641    45311.131    45311.131   -999.76753   -999.76753 
Loop time of 165.872 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.076 hours/ns, 6.029 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    | 164.13     | 164.13     | 164.13     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24978    | 0.24978    | 0.24978    |   0.0 |  0.15
Output  | 0.0002823  | 0.0002823  | 0.0002823  |   0.0 |  0.00
Modify  | 1.3333     | 1.3333     | 1.3333     |   0.0 |  0.80
Other   |            | 0.1618     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687674.0 ave      687674 max      687674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687674
Ave neighs/atom = 85.959250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.099220232822, Press = -35.1948693339491
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -58303.081   -58303.081   -58633.849   -58633.849    319.90641    319.90641    45311.131    45311.131   -999.76753   -999.76753 
    9000   -58309.023   -58309.023   -58630.831   -58630.831    311.24083    311.24083    45306.459    45306.459   -553.87528   -553.87528 
Loop time of 165.748 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.041 hours/ns, 6.033 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    | 164        | 164        | 164        |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24898    | 0.24898    | 0.24898    |   0.0 |  0.15
Output  | 0.000235   | 0.000235   | 0.000235   |   0.0 |  0.00
Modify  | 1.3326     | 1.3326     | 1.3326     |   0.0 |  0.80
Other   |            | 0.1618     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687636.0 ave      687636 max      687636 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687636
Ave neighs/atom = 85.954500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.012003243513, Press = -3.34291036725601
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -58309.023   -58309.023   -58630.831   -58630.831    311.24083    311.24083    45306.459    45306.459   -553.87528   -553.87528 
   10000    -58310.03    -58310.03   -58636.807   -58636.807    316.04636    316.04636    45287.642    45287.642    919.92752    919.92752 
Loop time of 181.221 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.477 ns/day, 50.339 hours/ns, 5.518 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    | 179.16     | 179.16     | 179.16     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27462    | 0.27462    | 0.27462    |   0.0 |  0.15
Output  | 0.00023115 | 0.00023115 | 0.00023115 |   0.0 |  0.00
Modify  | 1.601      | 1.601      | 1.601      |   0.0 |  0.88
Other   |            | 0.1834     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687612.0 ave      687612 max      687612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687612
Ave neighs/atom = 85.951500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.120869519213, Press = -12.1455595520426
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000    -58310.03    -58310.03   -58636.807   -58636.807    316.04636    316.04636    45287.642    45287.642    919.92752    919.92752 
   11000   -58301.105   -58301.105   -58625.278   -58625.278    313.52803    313.52803     45324.45     45324.45   -1847.8891   -1847.8891 
Loop time of 196.289 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.440 ns/day, 54.525 hours/ns, 5.095 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    | 194.18     | 194.18     | 194.18     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27891    | 0.27891    | 0.27891    |   0.0 |  0.14
Output  | 0.0002367  | 0.0002367  | 0.0002367  |   0.0 |  0.00
Modify  | 1.6437     | 1.6437     | 1.6437     |   0.0 |  0.84
Other   |            | 0.1867     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687664.0 ave      687664 max      687664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687664
Ave neighs/atom = 85.958000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.120106143547, Press = -7.52651091055918
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58301.105   -58301.105   -58625.278   -58625.278    313.52803    313.52803     45324.45     45324.45   -1847.8891   -1847.8891 
   12000   -58309.289   -58309.289   -58632.425   -58632.425    312.52514    312.52514    45279.222    45279.222    1949.8324    1949.8324 
Loop time of 167.494 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.516 ns/day, 46.526 hours/ns, 5.970 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    | 165.74     | 165.74     | 165.74     |   0.0 | 98.96
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24773    | 0.24773    | 0.24773    |   0.0 |  0.15
Output  | 0.0002282  | 0.0002282  | 0.0002282  |   0.0 |  0.00
Modify  | 1.3403     | 1.3403     | 1.3403     |   0.0 |  0.80
Other   |            | 0.1619     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687582.0 ave      687582 max      687582 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687582
Ave neighs/atom = 85.947750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.271729915216, Press = -2.88006074013479
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -58309.289   -58309.289   -58632.425   -58632.425    312.52514    312.52514    45279.222    45279.222    1949.8324    1949.8324 
   13000   -58302.266   -58302.266   -58627.438   -58627.438    314.49425    314.49425    45321.172    45321.172    -1612.061    -1612.061 
Loop time of 193.926 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.446 ns/day, 53.868 hours/ns, 5.157 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 191.72     | 191.72     | 191.72     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28625    | 0.28625    | 0.28625    |   0.0 |  0.15
Output  | 0.00030813 | 0.00030813 | 0.00030813 |   0.0 |  0.00
Modify  | 1.7243     | 1.7243     | 1.7243     |   0.0 |  0.89
Other   |            | 0.1925     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687680.0 ave      687680 max      687680 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687680
Ave neighs/atom = 85.960000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.395687863773, Press = -12.1605536115641
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -58302.266   -58302.266   -58627.438   -58627.438    314.49425    314.49425    45321.172    45321.172    -1612.061    -1612.061 
   14000   -58311.621   -58311.621    -58635.11    -58635.11    312.86707    312.86707    45294.856    45294.856    312.71814    312.71814 
Loop time of 198.024 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.436 ns/day, 55.007 hours/ns, 5.050 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    | 195.87     | 195.87     | 195.87     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28342    | 0.28342    | 0.28342    |   0.0 |  0.14
Output  | 0.00028842 | 0.00028842 | 0.00028842 |   0.0 |  0.00
Modify  | 1.6799     | 1.6799     | 1.6799     |   0.0 |  0.85
Other   |            | 0.1904     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687628.0 ave      687628 max      687628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687628
Ave neighs/atom = 85.953500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.343449065123, Press = 2.84466233508058
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58311.621   -58311.621    -58635.11    -58635.11    312.86707    312.86707    45294.856    45294.856    312.71814    312.71814 
   15000   -58310.472   -58310.472   -58632.742   -58632.742    311.68762    311.68762    45288.016    45288.016    1064.8147    1064.8147 
Loop time of 197.755 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.437 ns/day, 54.932 hours/ns, 5.057 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    | 195.54     | 195.54     | 195.54     |   0.0 | 98.88
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29039    | 0.29039    | 0.29039    |   0.0 |  0.15
Output  | 0.0006499  | 0.0006499  | 0.0006499  |   0.0 |  0.00
Modify  | 1.727      | 1.727      | 1.727      |   0.0 |  0.87
Other   |            | 0.1945     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687628.0 ave      687628 max      687628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687628
Ave neighs/atom = 85.953500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.312691524858, Press = -10.8114685168288
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -58310.472   -58310.472   -58632.742   -58632.742    311.68762    311.68762    45288.016    45288.016    1064.8147    1064.8147 
   16000   -58307.513   -58307.513   -58628.717   -58628.717    310.65635    310.65635    45325.074    45325.074   -2208.3637   -2208.3637 
Loop time of 197.536 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.437 ns/day, 54.871 hours/ns, 5.062 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 195.39     | 195.39     | 195.39     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28237    | 0.28237    | 0.28237    |   0.0 |  0.14
Output  | 0.00032258 | 0.00032258 | 0.00032258 |   0.0 |  0.00
Modify  | 1.6742     | 1.6742     | 1.6742     |   0.0 |  0.85
Other   |            | 0.1922     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687644.0 ave      687644 max      687644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687644
Ave neighs/atom = 85.955500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.146005380639, Press = -0.377958428558601
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58307.513   -58307.513   -58628.717   -58628.717    310.65635    310.65635    45325.074    45325.074   -2208.3637   -2208.3637 
   17000   -58311.385   -58311.385    -58633.86    -58633.86     311.8859     311.8859    45265.194    45265.194    3292.0087    3292.0087 
Loop time of 182.937 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.472 ns/day, 50.816 hours/ns, 5.466 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    | 180.94     | 180.94     | 180.94     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2698     | 0.2698     | 0.2698     |   0.0 |  0.15
Output  | 0.00025084 | 0.00025084 | 0.00025084 |   0.0 |  0.00
Modify  | 1.5485     | 1.5485     | 1.5485     |   0.0 |  0.85
Other   |            | 0.18       |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687632.0 ave      687632 max      687632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687632
Ave neighs/atom = 85.954000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.136227932123, Press = -4.26587651439083
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -58311.385   -58311.385    -58633.86    -58633.86     311.8859     311.8859    45265.194    45265.194    3292.0087    3292.0087 
   18000   -58303.809   -58303.809   -58630.828   -58630.828    316.28074    316.28074    45329.451    45329.451   -2720.1581   -2720.1581 
Loop time of 198.642 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.435 ns/day, 55.178 hours/ns, 5.034 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    | 196.46     | 196.46     | 196.46     |   0.0 | 98.90
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28654    | 0.28654    | 0.28654    |   0.0 |  0.14
Output  | 0.00023234 | 0.00023234 | 0.00023234 |   0.0 |  0.00
Modify  | 1.6994     | 1.6994     | 1.6994     |   0.0 |  0.86
Other   |            | 0.1922     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687718.0 ave      687718 max      687718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687718
Ave neighs/atom = 85.964750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.021756980699, Press = -5.78532250168084
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -58303.809   -58303.809   -58630.828   -58630.828    316.28074    316.28074    45329.451    45329.451   -2720.1581   -2720.1581 
   19000   -58310.234   -58310.234   -58637.145   -58637.145    316.17637    316.17637    45291.936    45291.936    430.11252    430.11252 
Loop time of 197.668 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.437 ns/day, 54.908 hours/ns, 5.059 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 195.41     | 195.41     | 195.41     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29237    | 0.29237    | 0.29237    |   0.0 |  0.15
Output  | 0.00027545 | 0.00027545 | 0.00027545 |   0.0 |  0.00
Modify  | 1.7748     | 1.7748     | 1.7748     |   0.0 |  0.90
Other   |            | 0.1959     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687634.0 ave      687634 max      687634 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687634
Ave neighs/atom = 85.954250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.021238533241, Press = -1.63517339951922
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58310.234   -58310.234   -58637.145   -58637.145    316.17637    316.17637    45291.936    45291.936    430.11252    430.11252 
   20000   -58303.574   -58303.574   -58628.733   -58628.733    314.48256    314.48256    45304.068    45304.068   -108.41799   -108.41799 
Loop time of 187.661 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.460 ns/day, 52.128 hours/ns, 5.329 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    | 185.64     | 185.64     | 185.64     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27131    | 0.27131    | 0.27131    |   0.0 |  0.14
Output  | 0.00023074 | 0.00023074 | 0.00023074 |   0.0 |  0.00
Modify  | 1.5636     | 1.5636     | 1.5636     |   0.0 |  0.83
Other   |            | 0.1816     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687698.0 ave      687698 max      687698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687698
Ave neighs/atom = 85.962250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.019444144746, Press = -4.49695567258689
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58303.574   -58303.574   -58628.733   -58628.733    314.48256    314.48256    45304.068    45304.068   -108.41799   -108.41799 
   21000   -58306.276   -58306.276   -58629.855   -58629.855    312.95423    312.95423    45310.823    45310.823   -813.69795   -813.69795 
Loop time of 197.215 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.438 ns/day, 54.782 hours/ns, 5.071 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    | 195.09     | 195.09     | 195.09     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28245    | 0.28245    | 0.28245    |   0.0 |  0.14
Output  | 0.00031128 | 0.00031128 | 0.00031128 |   0.0 |  0.00
Modify  | 1.6501     | 1.6501     | 1.6501     |   0.0 |  0.84
Other   |            | 0.1871     |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687616.0 ave      687616 max      687616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687616
Ave neighs/atom = 85.952000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.990504504547, Press = -2.03075310727924
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -58306.276   -58306.276   -58629.855   -58629.855    312.95423    312.95423    45310.823    45310.823   -813.69795   -813.69795 
   22000   -58306.227   -58306.227   -58632.302   -58632.302    315.36779    315.36779    45280.545    45280.545    1961.6904    1961.6904 
Loop time of 195.984 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.441 ns/day, 54.440 hours/ns, 5.102 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    | 193.86     | 193.86     | 193.86     |   0.0 | 98.92
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28206    | 0.28206    | 0.28206    |   0.0 |  0.14
Output  | 0.00031549 | 0.00031549 | 0.00031549 |   0.0 |  0.00
Modify  | 1.6555     | 1.6555     | 1.6555     |   0.0 |  0.84
Other   |            | 0.1884     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687620.0 ave      687620 max      687620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687620
Ave neighs/atom = 85.952500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.955419264025, Press = -2.87901030133265
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -58306.227   -58306.227   -58632.302   -58632.302    315.36779    315.36779    45280.545    45280.545    1961.6904    1961.6904 
   23000   -58306.299   -58306.299   -58629.031   -58629.031    312.13381    312.13381    45339.319    45339.319    -3616.689    -3616.689 
Loop time of 165.851 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.070 hours/ns, 6.030 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.11     | 164.11     | 164.11     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24495    | 0.24495    | 0.24495    |   0.0 |  0.15
Output  | 0.00022986 | 0.00022986 | 0.00022986 |   0.0 |  0.00
Modify  | 1.3293     | 1.3293     | 1.3293     |   0.0 |  0.80
Other   |            | 0.1631     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687620.0 ave      687620 max      687620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687620
Ave neighs/atom = 85.952500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.894072337268, Press = -5.06637089573316
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58306.299   -58306.299   -58629.031   -58629.031    312.13381    312.13381    45339.319    45339.319    -3616.689    -3616.689 
   24000   -58304.238   -58304.238   -58626.258   -58626.258    311.44564    311.44564    45278.819    45278.819    2422.0508    2422.0508 
Loop time of 183.569 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.471 ns/day, 50.991 hours/ns, 5.448 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 181.6      | 181.6      | 181.6      |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2678     | 0.2678     | 0.2678     |   0.0 |  0.15
Output  | 0.00023528 | 0.00023528 | 0.00023528 |   0.0 |  0.00
Modify  | 1.5194     | 1.5194     | 1.5194     |   0.0 |  0.83
Other   |            | 0.1767     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687616.0 ave      687616 max      687616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687616
Ave neighs/atom = 85.952000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.90502917446, Press = 1.69383864553216
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58304.238   -58304.238   -58626.258   -58626.258    311.44564    311.44564    45278.819    45278.819    2422.0508    2422.0508 
   25000   -58299.604   -58299.604   -58626.007   -58626.007    315.68529    315.68529     45305.62     45305.62    3.5058318    3.5058318 
Loop time of 169.458 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.510 ns/day, 47.072 hours/ns, 5.901 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    | 167.66     | 167.66     | 167.66     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25616    | 0.25616    | 0.25616    |   0.0 |  0.15
Output  | 0.00031888 | 0.00031888 | 0.00031888 |   0.0 |  0.00
Modify  | 1.3752     | 1.3752     | 1.3752     |   0.0 |  0.81
Other   |            | 0.1647     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687646.0 ave      687646 max      687646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687646
Ave neighs/atom = 85.955750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.909348992743, Press = -5.02404306348459
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -58299.604   -58299.604   -58626.007   -58626.007    315.68529    315.68529     45305.62     45305.62    3.5058318    3.5058318 
   26000   -58307.623   -58307.623   -58628.578   -58628.578    310.41628    310.41628    45307.232    45307.232   -396.14617   -396.14617 
Loop time of 195.9 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.441 ns/day, 54.417 hours/ns, 5.105 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 193.81     | 193.81     | 193.81     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28063    | 0.28063    | 0.28063    |   0.0 |  0.14
Output  | 0.00023455 | 0.00023455 | 0.00023455 |   0.0 |  0.00
Modify  | 1.6276     | 1.6276     | 1.6276     |   0.0 |  0.83
Other   |            | 0.1862     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687622.0 ave      687622 max      687622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687622
Ave neighs/atom = 85.952750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.984769543934, Press = -0.698151888047878
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58307.623   -58307.623   -58628.578   -58628.578    310.41628    310.41628    45307.232    45307.232   -396.14617   -396.14617 
   27000   -58305.293   -58305.293   -58632.503   -58632.503    316.46553    316.46553    45295.313    45295.313     524.2533     524.2533 
Loop time of 184.598 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.468 ns/day, 51.277 hours/ns, 5.417 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    | 182.62     | 182.62     | 182.62     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27078    | 0.27078    | 0.27078    |   0.0 |  0.15
Output  | 0.00023779 | 0.00023779 | 0.00023779 |   0.0 |  0.00
Modify  | 1.5315     | 1.5315     | 1.5315     |   0.0 |  0.83
Other   |            | 0.1787     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687588.0 ave      687588 max      687588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687588
Ave neighs/atom = 85.948500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.992037235319, Press = -2.7000050178405
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -58305.293   -58305.293   -58632.503   -58632.503    316.46553    316.46553    45295.313    45295.313     524.2533     524.2533 
   28000   -58313.853   -58313.853   -58631.318   -58631.318    307.04037    307.04037    45300.569    45300.569   -86.788547   -86.788547 
Loop time of 181.902 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.475 ns/day, 50.528 hours/ns, 5.497 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    | 179.95     | 179.95     | 179.95     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26764    | 0.26764    | 0.26764    |   0.0 |  0.15
Output  | 0.00023341 | 0.00023341 | 0.00023341 |   0.0 |  0.00
Modify  | 1.5044     | 1.5044     | 1.5044     |   0.0 |  0.83
Other   |            | 0.1764     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687658.0 ave      687658 max      687658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687658
Ave neighs/atom = 85.957250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.964337371647, Press = -1.96972083977526
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58313.853   -58313.853   -58631.318   -58631.318    307.04037    307.04037    45300.569    45300.569   -86.788547   -86.788547 
   29000   -58304.684   -58304.684   -58628.547   -58628.547    313.22842    313.22842    45301.907    45301.907    121.28013    121.28013 
Loop time of 179.771 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.481 ns/day, 49.936 hours/ns, 5.563 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 177.84     | 177.84     | 177.84     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26341    | 0.26341    | 0.26341    |   0.0 |  0.15
Output  | 0.00034092 | 0.00034092 | 0.00034092 |   0.0 |  0.00
Modify  | 1.4916     | 1.4916     | 1.4916     |   0.0 |  0.83
Other   |            | 0.1761     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687630.0 ave      687630 max      687630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687630
Ave neighs/atom = 85.953750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.956715017065, Press = -2.00364226395808
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -58304.684   -58304.684   -58628.547   -58628.547    313.22842    313.22842    45301.907    45301.907    121.28013    121.28013 
   30000   -58313.449   -58313.449   -58632.108   -58632.108    308.19461    308.19461    45300.952    45300.952   -190.35866   -190.35866 
Loop time of 177.644 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.486 ns/day, 49.346 hours/ns, 5.629 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    | 175.74     | 175.74     | 175.74     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26453    | 0.26453    | 0.26453    |   0.0 |  0.15
Output  | 0.00024039 | 0.00024039 | 0.00024039 |   0.0 |  0.00
Modify  | 1.4695     | 1.4695     | 1.4695     |   0.0 |  0.83
Other   |            | 0.1726     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687578.0 ave      687578 max      687578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687578
Ave neighs/atom = 85.947250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.91871604553, Press = -2.65344419574549
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -58313.449   -58313.449   -58632.108   -58632.108    308.19461    308.19461    45300.952    45300.952   -190.35866   -190.35866 
   31000   -58306.338   -58306.338   -58632.228   -58632.228    315.18904    315.18904    45300.536    45300.536   -71.657555   -71.657555 
Loop time of 165.545 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.522 ns/day, 45.985 hours/ns, 6.041 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    | 163.79     | 163.79     | 163.79     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25442    | 0.25442    | 0.25442    |   0.0 |  0.15
Output  | 0.00023184 | 0.00023184 | 0.00023184 |   0.0 |  0.00
Modify  | 1.339      | 1.339      | 1.339      |   0.0 |  0.81
Other   |            | 0.161      |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687654.0 ave      687654 max      687654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687654
Ave neighs/atom = 85.956750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.9190595, Press = -0.803698623584627
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -58306.338   -58306.338   -58632.228   -58632.228    315.18904    315.18904    45300.536    45300.536   -71.657555   -71.657555 
   32000   -58307.923   -58307.923   -58632.641   -58632.641    314.05567    314.05567    45291.399    45291.399    778.21673    778.21673 
Loop time of 165.506 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.522 ns/day, 45.974 hours/ns, 6.042 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    | 163.75     | 163.75     | 163.75     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25294    | 0.25294    | 0.25294    |   0.0 |  0.15
Output  | 0.00029146 | 0.00029146 | 0.00029146 |   0.0 |  0.00
Modify  | 1.3409     | 1.3409     | 1.3409     |   0.0 |  0.81
Other   |            | 0.1609     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687592.0 ave      687592 max      687592 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687592
Ave neighs/atom = 85.949000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.897689395992, Press = -3.17328066418329
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -58307.923   -58307.923   -58632.641   -58632.641    314.05567    314.05567    45291.399    45291.399    778.21673    778.21673 
   33000   -58313.985   -58313.985   -58631.387   -58631.387    306.97887    306.97887    45326.323    45326.323   -2664.7253   -2664.7253 
Loop time of 165.773 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.048 hours/ns, 6.032 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    | 164.02     | 164.02     | 164.02     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2543     | 0.2543     | 0.2543     |   0.0 |  0.15
Output  | 0.0002791  | 0.0002791  | 0.0002791  |   0.0 |  0.00
Modify  | 1.3411     | 1.3411     | 1.3411     |   0.0 |  0.81
Other   |            | 0.1618     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687672.0 ave      687672 max      687672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687672
Ave neighs/atom = 85.959000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.899291702962, Press = -0.804130026480706
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -58313.985   -58313.985   -58631.387   -58631.387    306.97887    306.97887    45326.323    45326.323   -2664.7253   -2664.7253 
   34000    -58304.67    -58304.67   -58630.933   -58630.933    315.54892    315.54892    45258.732    45258.732    4187.3281    4187.3281 
Loop time of 165.84 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.067 hours/ns, 6.030 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.08     | 164.08     | 164.08     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25236    | 0.25236    | 0.25236    |   0.0 |  0.15
Output  | 0.00023751 | 0.00023751 | 0.00023751 |   0.0 |  0.00
Modify  | 1.3434     | 1.3434     | 1.3434     |   0.0 |  0.81
Other   |            | 0.1632     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687590.0 ave      687590 max      687590 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687590
Ave neighs/atom = 85.948750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.871765781947, Press = -1.46359146961582
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000    -58304.67    -58304.67   -58630.933   -58630.933    315.54892    315.54892    45258.732    45258.732    4187.3281    4187.3281 
   35000   -58315.916   -58315.916   -58633.537   -58633.537    307.19169    307.19169    45324.957    45324.957   -2657.4214   -2657.4214 
Loop time of 166.64 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.518 ns/day, 46.289 hours/ns, 6.001 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    | 164.86     | 164.86     | 164.86     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25775    | 0.25775    | 0.25775    |   0.0 |  0.15
Output  | 0.00024337 | 0.00024337 | 0.00024337 |   0.0 |  0.00
Modify  | 1.3582     | 1.3582     | 1.3582     |   0.0 |  0.82
Other   |            | 0.1629     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687682.0 ave      687682 max      687682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687682
Ave neighs/atom = 85.960250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.86191760344, Press = -3.31646165196682
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58315.916   -58315.916   -58633.537   -58633.537    307.19169    307.19169    45324.957    45324.957   -2657.4214   -2657.4214 
   36000   -58305.958   -58305.958   -58633.874   -58633.874    317.14785    317.14785    45295.753    45295.753    446.10595    446.10595 
Loop time of 166.99 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.517 ns/day, 46.386 hours/ns, 5.988 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    | 165.22     | 165.22     | 165.22     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25741    | 0.25741    | 0.25741    |   0.0 |  0.15
Output  | 0.00025372 | 0.00025372 | 0.00025372 |   0.0 |  0.00
Modify  | 1.352      | 1.352      | 1.352      |   0.0 |  0.81
Other   |            | 0.1629     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687678.0 ave      687678 max      687678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687678
Ave neighs/atom = 85.959750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.835865401317, Press = -0.766463830819897
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58305.958   -58305.958   -58633.874   -58633.874    317.14785    317.14785    45295.753    45295.753    446.10595    446.10595 
   37000   -58310.246   -58310.246   -58635.708   -58635.708    314.77534    314.77534    45298.299    45298.299    29.688177    29.688177 
Loop time of 167.017 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.517 ns/day, 46.394 hours/ns, 5.987 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    | 165.24     | 165.24     | 165.24     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25615    | 0.25615    | 0.25615    |   0.0 |  0.15
Output  | 0.00024106 | 0.00024106 | 0.00024106 |   0.0 |  0.00
Modify  | 1.3521     | 1.3521     | 1.3521     |   0.0 |  0.81
Other   |            | 0.1637     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687606.0 ave      687606 max      687606 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687606
Ave neighs/atom = 85.950750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.851185729868, Press = -2.37137099457182
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -58310.246   -58310.246   -58635.708   -58635.708    314.77534    314.77534    45298.299    45298.299    29.688177    29.688177 
   38000   -58300.685   -58300.685   -58626.987   -58626.987    315.58765    315.58765    45310.298    45310.298   -608.14039   -608.14039 
Loop time of 164.616 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.727 hours/ns, 6.075 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    | 162.88     | 162.88     | 162.88     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24639    | 0.24639    | 0.24639    |   0.0 |  0.15
Output  | 0.00028414 | 0.00028414 | 0.00028414 |   0.0 |  0.00
Modify  | 1.3272     | 1.3272     | 1.3272     |   0.0 |  0.81
Other   |            | 0.1615     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687640.0 ave      687640 max      687640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687640
Ave neighs/atom = 85.955000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.894304669728, Press = -1.01077044599066
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -58300.685   -58300.685   -58626.987   -58626.987    315.58765    315.58765    45310.298    45310.298   -608.14039   -608.14039 
   39000   -58312.243   -58312.243   -58632.051   -58632.051    309.30679    309.30679    45278.763    45278.763    2012.2217    2012.2217 
Loop time of 164.262 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.628 hours/ns, 6.088 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    | 162.53     | 162.53     | 162.53     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2474     | 0.2474     | 0.2474     |   0.0 |  0.15
Output  | 0.000234   | 0.000234   | 0.000234   |   0.0 |  0.00
Modify  | 1.3215     | 1.3215     | 1.3215     |   0.0 |  0.80
Other   |            | 0.1606     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687654.0 ave      687654 max      687654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687654
Ave neighs/atom = 85.956750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.911930383641, Press = -2.0937409931567
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58312.243   -58312.243   -58632.051   -58632.051    309.30679    309.30679    45278.763    45278.763    2012.2217    2012.2217 
   40000   -58306.343   -58306.343   -58627.542   -58627.542    310.65197    310.65197    45333.007    45333.007   -2910.2625   -2910.2625 
Loop time of 164.18 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.606 hours/ns, 6.091 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    | 162.45     | 162.45     | 162.45     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24606    | 0.24606    | 0.24606    |   0.0 |  0.15
Output  | 0.00022922 | 0.00022922 | 0.00022922 |   0.0 |  0.00
Modify  | 1.3261     | 1.3261     | 1.3261     |   0.0 |  0.81
Other   |            | 0.1605     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687646.0 ave      687646 max      687646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687646
Ave neighs/atom = 85.955750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.927783017809, Press = -1.9281436358327
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -58306.343   -58306.343   -58627.542   -58627.542    310.65197    310.65197    45333.007    45333.007   -2910.2625   -2910.2625 
   41000   -58309.262   -58309.262   -58632.499   -58632.499    312.62336    312.62336    45272.472    45272.472    2548.7105    2548.7105 
Loop time of 164.432 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.675 hours/ns, 6.082 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.69     | 162.69     | 162.69     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24739    | 0.24739    | 0.24739    |   0.0 |  0.15
Output  | 0.00029493 | 0.00029493 | 0.00029493 |   0.0 |  0.00
Modify  | 1.3344     | 1.3344     | 1.3344     |   0.0 |  0.81
Other   |            | 0.1625     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687648.0 ave      687648 max      687648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687648
Ave neighs/atom = 85.956000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.948028019947, Press = 0.0147429150992821
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58309.262   -58309.262   -58632.499   -58632.499    312.62336    312.62336    45272.472    45272.472    2548.7105    2548.7105 
   42000   -58302.978   -58302.978   -58629.374   -58629.374     315.6784     315.6784    45314.267    45314.267   -1074.5221   -1074.5221 
Loop time of 164.431 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.675 hours/ns, 6.082 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    | 162.69     | 162.69     | 162.69     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24707    | 0.24707    | 0.24707    |   0.0 |  0.15
Output  | 0.00023248 | 0.00023248 | 0.00023248 |   0.0 |  0.00
Modify  | 1.334      | 1.334      | 1.334      |   0.0 |  0.81
Other   |            | 0.1614     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687706.0 ave      687706 max      687706 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687706
Ave neighs/atom = 85.963250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.984054083572, Press = -3.48749392041119
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58302.978   -58302.978   -58629.374   -58629.374     315.6784     315.6784    45314.267    45314.267   -1074.5221   -1074.5221 
   43000   -58305.003   -58305.003   -58630.403   -58630.403    314.71514    314.71514    45304.054    45304.054   -263.97006   -263.97006 
Loop time of 164.416 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.671 hours/ns, 6.082 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.67     | 162.67     | 162.67     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24799    | 0.24799    | 0.24799    |   0.0 |  0.15
Output  | 0.0002303  | 0.0002303  | 0.0002303  |   0.0 |  0.00
Modify  | 1.334      | 1.334      | 1.334      |   0.0 |  0.81
Other   |            | 0.162      |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687652.0 ave      687652 max      687652 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687652
Ave neighs/atom = 85.956500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.980637108183, Press = -0.222949451369836
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -58305.003   -58305.003   -58630.403   -58630.403    314.71514    314.71514    45304.054    45304.054   -263.97006   -263.97006 
   44000   -58304.088   -58304.088   -58632.532   -58632.532    317.65883    317.65883      45297.3      45297.3    393.47155    393.47155 
Loop time of 164.399 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.667 hours/ns, 6.083 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.65     | 162.65     | 162.65     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24827    | 0.24827    | 0.24827    |   0.0 |  0.15
Output  | 0.00023402 | 0.00023402 | 0.00023402 |   0.0 |  0.00
Modify  | 1.3346     | 1.3346     | 1.3346     |   0.0 |  0.81
Other   |            | 0.1615     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687660.0 ave      687660 max      687660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687660
Ave neighs/atom = 85.957500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.016573290784, Press = -1.80640765638758
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -58304.088   -58304.088   -58632.532   -58632.532    317.65883    317.65883      45297.3      45297.3    393.47155    393.47155 
   45000   -58304.992   -58304.992    -58631.57    -58631.57    315.85419    315.85419    45310.638    45310.638   -865.70797   -865.70797 
Loop time of 164.356 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.654 hours/ns, 6.084 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.61     | 162.61     | 162.61     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24627    | 0.24627    | 0.24627    |   0.0 |  0.15
Output  | 0.00023165 | 0.00023165 | 0.00023165 |   0.0 |  0.00
Modify  | 1.3321     | 1.3321     | 1.3321     |   0.0 |  0.81
Other   |            | 0.1629     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687634.0 ave      687634 max      687634 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687634
Ave neighs/atom = 85.954250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.034649261216, Press = -1.2152131336476
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58304.992   -58304.992    -58631.57    -58631.57    315.85419    315.85419    45310.638    45310.638   -865.70797   -865.70797 
   46000   -58311.662   -58311.662   -58632.012   -58632.012    309.83039    309.83039     45287.83     45287.83    1156.9706    1156.9706 
Loop time of 164.477 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.688 hours/ns, 6.080 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.73     | 162.73     | 162.73     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24638    | 0.24638    | 0.24638    |   0.0 |  0.15
Output  | 0.00023094 | 0.00023094 | 0.00023094 |   0.0 |  0.00
Modify  | 1.3345     | 1.3345     | 1.3345     |   0.0 |  0.81
Other   |            | 0.1622     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687670.0 ave      687670 max      687670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687670
Ave neighs/atom = 85.958750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.042437556138, Press = -1.01051629660032
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -58311.662   -58311.662   -58632.012   -58632.012    309.83039    309.83039     45287.83     45287.83    1156.9706    1156.9706 
   47000    -58306.98    -58306.98   -58629.403   -58629.403     311.8354     311.8354    45321.584    45321.584   -1779.3774   -1779.3774 
Loop time of 164.377 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.660 hours/ns, 6.084 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.63     | 162.63     | 162.63     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24932    | 0.24932    | 0.24932    |   0.0 |  0.15
Output  | 0.00029568 | 0.00029568 | 0.00029568 |   0.0 |  0.00
Modify  | 1.3322     | 1.3322     | 1.3322     |   0.0 |  0.81
Other   |            | 0.1623     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687640.0 ave      687640 max      687640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687640
Ave neighs/atom = 85.955000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.039225742127, Press = -2.65345202458068
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000    -58306.98    -58306.98   -58629.403   -58629.403     311.8354     311.8354    45321.584    45321.584   -1779.3774   -1779.3774 
   48000   -58307.555   -58307.555   -58631.132   -58631.132    312.95112    312.95112    45293.831    45293.831    730.33631    730.33631 
Loop time of 164.486 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.691 hours/ns, 6.080 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.74     | 162.74     | 162.74     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24558    | 0.24558    | 0.24558    |   0.0 |  0.15
Output  | 0.00023084 | 0.00023084 | 0.00023084 |   0.0 |  0.00
Modify  | 1.3338     | 1.3338     | 1.3338     |   0.0 |  0.81
Other   |            | 0.1626     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687626.0 ave      687626 max      687626 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687626
Ave neighs/atom = 85.953250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.030064824757, Press = 0.377710431369572
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58307.555   -58307.555   -58631.132   -58631.132    312.95112    312.95112    45293.831    45293.831    730.33631    730.33631 
   49000   -58311.366   -58311.366   -58636.133   -58636.133    314.10314    314.10314     45291.26     45291.26    524.42181    524.42181 
Loop time of 164.388 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.663 hours/ns, 6.083 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.64     | 162.64     | 162.64     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24815    | 0.24815    | 0.24815    |   0.0 |  0.15
Output  | 0.00023101 | 0.00023101 | 0.00023101 |   0.0 |  0.00
Modify  | 1.3339     | 1.3339     | 1.3339     |   0.0 |  0.81
Other   |            | 0.1625     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687670.0 ave      687670 max      687670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687670
Ave neighs/atom = 85.958750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.031406360726, Press = -2.91532043258327
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -58311.366   -58311.366   -58636.133   -58636.133    314.10314    314.10314     45291.26     45291.26    524.42181    524.42181 
   50000   -58306.572   -58306.572   -58629.695   -58629.695    312.51287    312.51287    45321.509    45321.509    -1913.622    -1913.622 
Loop time of 164.388 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.663 hours/ns, 6.083 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.64     | 162.64     | 162.64     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24659    | 0.24659    | 0.24659    |   0.0 |  0.15
Output  | 0.00023149 | 0.00023149 | 0.00023149 |   0.0 |  0.00
Modify  | 1.3358     | 1.3358     | 1.3358     |   0.0 |  0.81
Other   |            | 0.1616     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687698.0 ave      687698 max      687698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687698
Ave neighs/atom = 85.962250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.035249006064, Press = -0.424836108974125
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -58306.572   -58306.572   -58629.695   -58629.695    312.51287    312.51287    45321.509    45321.509    -1913.622    -1913.622 
   51000   -58313.458   -58313.458   -58633.572   -58633.572    309.60265    309.60265    45276.423    45276.423     2090.938     2090.938 
Loop time of 164.448 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.680 hours/ns, 6.081 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    | 162.71     | 162.71     | 162.71     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24629    | 0.24629    | 0.24629    |   0.0 |  0.15
Output  | 0.00023098 | 0.00023098 | 0.00023098 |   0.0 |  0.00
Modify  | 1.3339     | 1.3339     | 1.3339     |   0.0 |  0.81
Other   |            | 0.1617     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687604.0 ave      687604 max      687604 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687604
Ave neighs/atom = 85.950500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.025623944904, Press = -1.22647418660618
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58313.458   -58313.458   -58633.572   -58633.572    309.60265    309.60265    45276.423    45276.423     2090.938     2090.938 
   52000   -58306.815   -58306.815   -58631.324   -58631.324    313.85377    313.85377    45315.509    45315.509   -1446.7406   -1446.7406 
Loop time of 164.397 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.666 hours/ns, 6.083 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.65     | 162.65     | 162.65     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24762    | 0.24762    | 0.24762    |   0.0 |  0.15
Output  | 0.00023754 | 0.00023754 | 0.00023754 |   0.0 |  0.00
Modify  | 1.3358     | 1.3358     | 1.3358     |   0.0 |  0.81
Other   |            | 0.1621     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687648.0 ave      687648 max      687648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687648
Ave neighs/atom = 85.956000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.01839002382, Press = -1.67204967743462
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -58306.815   -58306.815   -58631.324   -58631.324    313.85377    313.85377    45315.509    45315.509   -1446.7406   -1446.7406 
   53000   -58311.615   -58311.615   -58637.072   -58637.072    314.76994    314.76994    45292.743    45292.743    388.35258    388.35258 
Loop time of 164.383 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.662 hours/ns, 6.083 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.64     | 162.64     | 162.64     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24876    | 0.24876    | 0.24876    |   0.0 |  0.15
Output  | 0.00022869 | 0.00022869 | 0.00022869 |   0.0 |  0.00
Modify  | 1.3346     | 1.3346     | 1.3346     |   0.0 |  0.81
Other   |            | 0.1609     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687660.0 ave      687660 max      687660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687660
Ave neighs/atom = 85.957500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.989956370522, Press = -0.625395727461782
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -58311.615   -58311.615   -58637.072   -58637.072    314.76994    314.76994    45292.743    45292.743    388.35258    388.35258 
   54000   -58304.697   -58304.697   -58632.769   -58632.769    317.29867    317.29867    45302.338    45302.338   -166.46529   -166.46529 
Loop time of 164.424 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.673 hours/ns, 6.082 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.68     | 162.68     | 162.68     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24918    | 0.24918    | 0.24918    |   0.0 |  0.15
Output  | 0.00022839 | 0.00022839 | 0.00022839 |   0.0 |  0.00
Modify  | 1.3355     | 1.3355     | 1.3355     |   0.0 |  0.81
Other   |            | 0.1615     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687678.0 ave      687678 max      687678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687678
Ave neighs/atom = 85.959750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.975174531389, Press = -1.69090272333551
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58304.697   -58304.697   -58632.769   -58632.769    317.29867    317.29867    45302.338    45302.338   -166.46529   -166.46529 
   55000   -58304.213   -58304.213   -58629.717   -58629.717    314.81519    314.81519     45314.51     45314.51   -1086.2804   -1086.2804 
Loop time of 164.478 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.688 hours/ns, 6.080 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.73     | 162.73     | 162.73     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24871    | 0.24871    | 0.24871    |   0.0 |  0.15
Output  | 0.00022813 | 0.00022813 | 0.00022813 |   0.0 |  0.00
Modify  | 1.3328     | 1.3328     | 1.3328     |   0.0 |  0.81
Other   |            | 0.1619     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687670.0 ave      687670 max      687670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687670
Ave neighs/atom = 85.958750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.960482816249, Press = -0.44462632016848
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -58304.213   -58304.213   -58629.717   -58629.717    314.81519    314.81519     45314.51     45314.51   -1086.2804   -1086.2804 
   56000   -58306.532   -58306.532   -58636.941   -58636.941    319.55922    319.55922    45259.191    45259.191    3866.4498    3866.4498 
Loop time of 164.368 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.658 hours/ns, 6.084 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.63     | 162.63     | 162.63     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24652    | 0.24652    | 0.24652    |   0.0 |  0.15
Output  | 0.00022953 | 0.00022953 | 0.00022953 |   0.0 |  0.00
Modify  | 1.3334     | 1.3334     | 1.3334     |   0.0 |  0.81
Other   |            | 0.1612     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687622.0 ave      687622 max      687622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687622
Ave neighs/atom = 85.952750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.974093638327, Press = -1.7007363170735
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58306.532   -58306.532   -58636.941   -58636.941    319.55922    319.55922    45259.191    45259.191    3866.4498    3866.4498 
   57000   -58297.999   -58297.999   -58629.345   -58629.345    320.46535    320.46535    45346.094    45346.094   -4013.4023   -4013.4023 
Loop time of 164.421 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.672 hours/ns, 6.082 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.68     | 162.68     | 162.68     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24812    | 0.24812    | 0.24812    |   0.0 |  0.15
Output  | 0.00023588 | 0.00023588 | 0.00023588 |   0.0 |  0.00
Modify  | 1.3332     | 1.3332     | 1.3332     |   0.0 |  0.81
Other   |            | 0.1619     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687750.0 ave      687750 max      687750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687750
Ave neighs/atom = 85.968750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.984396408157, Press = -1.65118027122268
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -58297.999   -58297.999   -58629.345   -58629.345    320.46535    320.46535    45346.094    45346.094   -4013.4023   -4013.4023 
   58000    -58308.08    -58308.08   -58631.064   -58631.064    312.37759    312.37759    45283.696    45283.696    1616.2761    1616.2761 
Loop time of 165.814 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.059 hours/ns, 6.031 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    | 164.06     | 164.06     | 164.06     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25224    | 0.25224    | 0.25224    |   0.0 |  0.15
Output  | 0.00024357 | 0.00024357 | 0.00024357 |   0.0 |  0.00
Modify  | 1.3424     | 1.3424     | 1.3424     |   0.0 |  0.81
Other   |            | 0.1642     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687586.0 ave      687586 max      687586 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687586
Ave neighs/atom = 85.948250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.010316726541, Press = -0.229386891472338
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000    -58308.08    -58308.08   -58631.064   -58631.064    312.37759    312.37759    45283.696    45283.696    1616.2761    1616.2761 
   59000   -58295.175   -58295.175    -58627.83    -58627.83    321.73085    321.73085    45308.893    45308.893   -265.52745   -265.52745 
Loop time of 198.095 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.436 ns/day, 55.026 hours/ns, 5.048 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 195.96     | 195.96     | 195.96     |   0.0 | 98.92
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28587    | 0.28587    | 0.28587    |   0.0 |  0.14
Output  | 0.00023688 | 0.00023688 | 0.00023688 |   0.0 |  0.00
Modify  | 1.6595     | 1.6595     | 1.6595     |   0.0 |  0.84
Other   |            | 0.187      |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687658.0 ave      687658 max      687658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687658
Ave neighs/atom = 85.957250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.032217116251, Press = -1.71701742327843
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -58295.175   -58295.175    -58627.83    -58627.83    321.73085    321.73085    45308.893    45308.893   -265.52745   -265.52745 
   60000   -58308.385   -58308.385   -58633.982   -58633.982     314.9051     314.9051    45303.288    45303.288   -436.46336   -436.46336 
Loop time of 183.496 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.471 ns/day, 50.971 hours/ns, 5.450 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    | 181.5      | 181.5      | 181.5      |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27279    | 0.27279    | 0.27279    |   0.0 |  0.15
Output  | 0.0002384  | 0.0002384  | 0.0002384  |   0.0 |  0.00
Modify  | 1.5447     | 1.5447     | 1.5447     |   0.0 |  0.84
Other   |            | 0.1773     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687612.0 ave      687612 max      687612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687612
Ave neighs/atom = 85.951500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.052687867612, Press = -0.733030666106036
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -58308.385   -58308.385   -58633.982   -58633.982     314.9051     314.9051    45303.288    45303.288   -436.46336   -436.46336 
   61000   -58303.332   -58303.332   -58633.594   -58633.594     319.4165     319.4165    45300.545    45300.545    7.1468939    7.1468939 
Loop time of 167.346 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.516 ns/day, 46.485 hours/ns, 5.976 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    | 165.57     | 165.57     | 165.57     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25784    | 0.25784    | 0.25784    |   0.0 |  0.15
Output  | 0.00028381 | 0.00028381 | 0.00028381 |   0.0 |  0.00
Modify  | 1.3532     | 1.3532     | 1.3532     |   0.0 |  0.81
Other   |            | 0.164      |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687668.0 ave      687668 max      687668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687668
Ave neighs/atom = 85.958500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.07034003562, Press = -1.18466682014142
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -58303.332   -58303.332   -58633.594   -58633.594     319.4165     319.4165    45300.545    45300.545    7.1468939    7.1468939 
   62000   -58307.842   -58307.842   -58632.314   -58632.314    313.81677    313.81677    45302.917    45302.917   -327.88818   -327.88818 
Loop time of 168.849 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.512 ns/day, 46.902 hours/ns, 5.922 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 167.06     | 167.06     | 167.06     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25686    | 0.25686    | 0.25686    |   0.0 |  0.15
Output  | 0.00038113 | 0.00038113 | 0.00038113 |   0.0 |  0.00
Modify  | 1.3671     | 1.3671     | 1.3671     |   0.0 |  0.81
Other   |            | 0.1636     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687622.0 ave      687622 max      687622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687622
Ave neighs/atom = 85.952750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.071533858496, Press = -1.12186799993834
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -58307.842   -58307.842   -58632.314   -58632.314    313.81677    313.81677    45302.917    45302.917   -327.88818   -327.88818 
   63000   -58300.748   -58300.748   -58627.083   -58627.083    315.61908    315.61908    45304.204    45304.204   -1.8593552   -1.8593552 
Loop time of 197.439 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.438 ns/day, 54.844 hours/ns, 5.065 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    | 195.23     | 195.23     | 195.23     |   0.0 | 98.88
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2923     | 0.2923     | 0.2923     |   0.0 |  0.15
Output  | 0.00031523 | 0.00031523 | 0.00031523 |   0.0 |  0.00
Modify  | 1.7252     | 1.7252     | 1.7252     |   0.0 |  0.87
Other   |            | 0.1948     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687620.0 ave      687620 max      687620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687620
Ave neighs/atom = 85.952500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.100745120601, Press = -0.853150620767091
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -58300.748   -58300.748   -58627.083   -58627.083    315.61908    315.61908    45304.204    45304.204   -1.8593552   -1.8593552 
   64000   -58302.846   -58302.846   -58627.583   -58627.583    314.07353    314.07353    45295.526    45295.526    848.80611    848.80611 
Loop time of 164.826 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.524 ns/day, 45.785 hours/ns, 6.067 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    | 163.07     | 163.07     | 163.07     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24658    | 0.24658    | 0.24658    |   0.0 |  0.15
Output  | 0.00023443 | 0.00023443 | 0.00023443 |   0.0 |  0.00
Modify  | 1.3414     | 1.3414     | 1.3414     |   0.0 |  0.81
Other   |            | 0.163      |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687616.0 ave      687616 max      687616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687616
Ave neighs/atom = 85.952000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.102092109524, Press = -1.59436767741816
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -58302.846   -58302.846   -58627.583   -58627.583    314.07353    314.07353    45295.526    45295.526    848.80611    848.80611 
   65000   -58303.052   -58303.052   -58632.474   -58632.474    318.60414    318.60414    45323.914    45323.914   -2225.4576   -2225.4576 
Loop time of 166.183 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.520 ns/day, 46.162 hours/ns, 6.017 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    | 164.42     | 164.42     | 164.42     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25104    | 0.25104    | 0.25104    |   0.0 |  0.15
Output  | 0.00023435 | 0.00023435 | 0.00023435 |   0.0 |  0.00
Modify  | 1.3498     | 1.3498     | 1.3498     |   0.0 |  0.81
Other   |            | 0.1659     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687616.0 ave      687616 max      687616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687616
Ave neighs/atom = 85.952000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.112495113239, Press = -0.686317330945663
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -58303.052   -58303.052   -58632.474   -58632.474    318.60414    318.60414    45323.914    45323.914   -2225.4576   -2225.4576 
   66000   -58316.004   -58316.004   -58629.841   -58629.841    303.53112    303.53112    45263.449    45263.449    3500.2968    3500.2968 
Loop time of 192.109 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.450 ns/day, 53.363 hours/ns, 5.205 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    | 190.01     | 190.01     | 190.01     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28372    | 0.28372    | 0.28372    |   0.0 |  0.15
Output  | 0.00024935 | 0.00024935 | 0.00024935 |   0.0 |  0.00
Modify  | 1.6295     | 1.6295     | 1.6295     |   0.0 |  0.85
Other   |            | 0.1887     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687622.0 ave      687622 max      687622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687622
Ave neighs/atom = 85.952750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.096872196617, Press = -0.863626497111979
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -58316.004   -58316.004   -58629.841   -58629.841    303.53112    303.53112    45263.449    45263.449    3500.2968    3500.2968 
   67000   -58309.687   -58309.687   -58630.273   -58630.273    310.05925    310.05925    45334.258    45334.258   -3152.3944   -3152.3944 
Loop time of 197.423 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.438 ns/day, 54.840 hours/ns, 5.065 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    | 195.25     | 195.25     | 195.25     |   0.0 | 98.90
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28968    | 0.28968    | 0.28968    |   0.0 |  0.15
Output  | 0.00028262 | 0.00028262 | 0.00028262 |   0.0 |  0.00
Modify  | 1.6887     | 1.6887     | 1.6887     |   0.0 |  0.86
Other   |            | 0.1938     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687630.0 ave      687630 max      687630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687630
Ave neighs/atom = 85.953750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.0880769392, Press = -1.97664135333035
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -58309.687   -58309.687   -58630.273   -58630.273    310.05925    310.05925    45334.258    45334.258   -3152.3944   -3152.3944 
   68000   -58305.372   -58305.372   -58630.045   -58630.045    314.01168    314.01168    45283.294    45283.294    1695.4979    1695.4979 
Loop time of 187.326 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.461 ns/day, 52.035 hours/ns, 5.338 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    | 185.29     | 185.29     | 185.29     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27586    | 0.27586    | 0.27586    |   0.0 |  0.15
Output  | 0.00028365 | 0.00028365 | 0.00028365 |   0.0 |  0.00
Modify  | 1.5809     | 1.5809     | 1.5809     |   0.0 |  0.84
Other   |            | 0.1828     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687616.0 ave      687616 max      687616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687616
Ave neighs/atom = 85.952000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.083781123337, Press = 0.411411030579252
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -58305.372   -58305.372   -58630.045   -58630.045    314.01168    314.01168    45283.294    45283.294    1695.4979    1695.4979 
   69000   -58309.283   -58309.283   -58632.905   -58632.905    312.99512    312.99512    45299.931    45299.931   -32.242187   -32.242187 
Loop time of 177.166 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.488 ns/day, 49.213 hours/ns, 5.644 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    | 175.25     | 175.25     | 175.25     |   0.0 | 98.92
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26325    | 0.26325    | 0.26325    |   0.0 |  0.15
Output  | 0.00023918 | 0.00023918 | 0.00023918 |   0.0 |  0.00
Modify  | 1.4747     | 1.4747     | 1.4747     |   0.0 |  0.83
Other   |            | 0.1734     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687640.0 ave      687640 max      687640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687640
Ave neighs/atom = 85.955000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.093621675117, Press = -1.71002233027377
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -58309.283   -58309.283   -58632.905   -58632.905    312.99512    312.99512    45299.931    45299.931   -32.242187   -32.242187 
   70000   -58303.689   -58303.689   -58633.135   -58633.135     318.6285     318.6285    45308.347    45308.347   -679.55432   -679.55432 
Loop time of 197.672 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.437 ns/day, 54.909 hours/ns, 5.059 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    | 195.47     | 195.47     | 195.47     |   0.0 | 98.89
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29215    | 0.29215    | 0.29215    |   0.0 |  0.15
Output  | 0.00031557 | 0.00031557 | 0.00031557 |   0.0 |  0.00
Modify  | 1.712      | 1.712      | 1.712      |   0.0 |  0.87
Other   |            | 0.194      |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687690.0 ave      687690 max      687690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687690
Ave neighs/atom = 85.961250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.091799048726, Press = -0.517104848565616
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -58303.689   -58303.689   -58633.135   -58633.135     318.6285     318.6285    45308.347    45308.347   -679.55432   -679.55432 
   71000   -58311.176   -58311.176    -58636.13    -58636.13    314.28298    314.28298    45287.661    45287.661    955.76501    955.76501 
Loop time of 198.787 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.435 ns/day, 55.218 hours/ns, 5.031 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 196.58     | 196.58     | 196.58     |   0.0 | 98.89
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29236    | 0.29236    | 0.29236    |   0.0 |  0.15
Output  | 0.00024551 | 0.00024551 | 0.00024551 |   0.0 |  0.00
Modify  | 1.7182     | 1.7182     | 1.7182     |   0.0 |  0.86
Other   |            | 0.1926     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687670.0 ave      687670 max      687670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687670
Ave neighs/atom = 85.958750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.09640883444, Press = -1.26680363536352
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -58311.176   -58311.176    -58636.13    -58636.13    314.28298    314.28298    45287.661    45287.661    955.76501    955.76501 
   72000    -58304.72    -58304.72   -58629.133   -58629.133    313.75947    313.75947    45327.626    45327.626   -2495.5446   -2495.5446 
Loop time of 198.711 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.435 ns/day, 55.197 hours/ns, 5.032 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 196.53     | 196.53     | 196.53     |   0.0 | 98.90
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28955    | 0.28955    | 0.28955    |   0.0 |  0.15
Output  | 0.00032733 | 0.00032733 | 0.00032733 |   0.0 |  0.00
Modify  | 1.6984     | 1.6984     | 1.6984     |   0.0 |  0.85
Other   |            | 0.1915     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687646.0 ave      687646 max      687646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687646
Ave neighs/atom = 85.955750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.08669250361, Press = -0.932359637977606
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000    -58304.72    -58304.72   -58629.133   -58629.133    313.75947    313.75947    45327.626    45327.626   -2495.5446   -2495.5446 
   73000   -58308.005   -58308.005   -58631.067   -58631.067    312.45304    312.45304    45254.896    45254.896    4454.4517    4454.4517 
Loop time of 198.77 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.435 ns/day, 55.214 hours/ns, 5.031 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 196.56     | 196.56     | 196.56     |   0.0 | 98.89
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29258    | 0.29258    | 0.29258    |   0.0 |  0.15
Output  | 0.00024174 | 0.00024174 | 0.00024174 |   0.0 |  0.00
Modify  | 1.722      | 1.722      | 1.722      |   0.0 |  0.87
Other   |            | 0.1936     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687668.0 ave      687668 max      687668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687668
Ave neighs/atom = 85.958500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
45300.9950920208

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0