# 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 5.431230753660202*${_u_distance}
variable latticeconst_converted equal 5.431230753660202*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  5.4312307536602
Lattice spacing in x,y,z = 5.4312308 5.4312308 5.4312308
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 (54.312308 54.312308 54.312308)
  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 (54.312308 54.312308 54.312308)
  create_atoms CPU = 0.003 seconds

variable mass_converted equal 28.0855*${_u_mass}
variable mass_converted equal 28.0855*1

kim_interactions Si

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

kim interactions Si
#=== BEGIN kim interactions ==================================
pair_style kim Tersoff_LAMMPS_Tersoff_1988T2_Si__MO_245095684871_004
pair_coeff * * Si
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 28.0855

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 160211.897623003    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 160211.897623003/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 160211.897623003/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 160211.897623003/(1*1*${_u_distance})
variable      V0_metal equal 160211.897623003/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 160211.897623003*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 160211.897623003 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_245095684871_004#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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -36719.515   -36719.515   -37043.297   -37043.297       313.15       313.15     160211.9     160211.9    2158.6216    2158.6216 
    1000   -36360.931   -36360.931    -36687.74    -36687.74    316.07729    316.07729    159912.89    159912.89   -423.16789   -423.16789 
Loop time of 53.1301 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.626 ns/day, 14.758 hours/ns, 18.822 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    | 52.443     | 52.443     | 52.443     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047654   | 0.047654   | 0.047654   |   0.0 |  0.09
Output  | 0.00032274 | 0.00032274 | 0.00032274 |   0.0 |  0.00
Modify  | 0.57129    | 0.57129    | 0.57129    |   0.0 |  1.08
Other   |            | 0.06801    |            |       |  0.13

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4995.00 ave        4995 max        4995 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224000.0 ave      224000 max      224000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224000
Ave neighs/atom = 28.000000
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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -36360.931   -36360.931    -36687.74    -36687.74    316.07729    316.07729    159912.89    159912.89   -423.16789   -423.16789 
    2000   -36396.137   -36396.137   -36713.126   -36713.126    306.57921    306.57921     159889.9     159889.9   -139.35956   -139.35956 
Loop time of 53.1519 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.626 ns/day, 14.764 hours/ns, 18.814 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    | 52.363     | 52.363     | 52.363     |   0.0 | 98.52
Neigh   | 0.11291    | 0.11291    | 0.11291    |   0.0 |  0.21
Comm    | 0.049392   | 0.049392   | 0.049392   |   0.0 |  0.09
Output  | 0.00013473 | 0.00013473 | 0.00013473 |   0.0 |  0.00
Modify  | 0.56293    | 0.56293    | 0.56293    |   0.0 |  1.06
Other   |            | 0.06376    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5027.00 ave        5027 max        5027 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      226836.0 ave      226836 max      226836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 226836
Ave neighs/atom = 28.354500
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -36396.137   -36396.137   -36713.126   -36713.126    306.57921    306.57921     159889.9     159889.9   -139.35956   -139.35956 
    3000   -36373.554   -36373.554   -36708.409   -36708.409     323.8599     323.8599    160217.23    160217.23   -2016.0837   -2016.0837 
Loop time of 52.9336 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.632 ns/day, 14.704 hours/ns, 18.892 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    | 52.183     | 52.183     | 52.183     |   0.0 | 98.58
Neigh   | 0.075779   | 0.075779   | 0.075779   |   0.0 |  0.14
Comm    | 0.049213   | 0.049213   | 0.049213   |   0.0 |  0.09
Output  | 0.00015092 | 0.00015092 | 0.00015092 |   0.0 |  0.00
Modify  | 0.56185    | 0.56185    | 0.56185    |   0.0 |  1.06
Other   |            | 0.06327    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5059.00 ave        5059 max        5059 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227286.0 ave      227286 max      227286 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227286
Ave neighs/atom = 28.410750
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -36373.554   -36373.554   -36708.409   -36708.409     323.8599     323.8599    160217.23    160217.23   -2016.0837   -2016.0837 
    4000   -36388.612   -36388.612   -36712.602   -36712.602    313.35089    313.35089     160120.9     160120.9   -1130.9403   -1130.9403 
Loop time of 52.7686 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.637 ns/day, 14.658 hours/ns, 18.951 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    | 51.982     | 51.982     | 51.982     |   0.0 | 98.51
Neigh   | 0.11343    | 0.11343    | 0.11343    |   0.0 |  0.21
Comm    | 0.049531   | 0.049531   | 0.049531   |   0.0 |  0.09
Output  | 0.00015661 | 0.00015661 | 0.00015661 |   0.0 |  0.00
Modify  | 0.56005    | 0.56005    | 0.56005    |   0.0 |  1.06
Other   |            | 0.0629     |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5054.00 ave        5054 max        5054 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227194.0 ave      227194 max      227194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227194
Ave neighs/atom = 28.399250
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -36388.612   -36388.612   -36712.602   -36712.602    313.35089    313.35089     160120.9     160120.9   -1130.9403   -1130.9403 
    5000   -36372.798   -36372.798   -36709.456   -36709.456    325.60397    325.60397    159992.08    159992.08   -165.19202   -165.19202 
Loop time of 52.2955 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.652 ns/day, 14.527 hours/ns, 19.122 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    | 51.628     | 51.628     | 51.628     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046399   | 0.046399   | 0.046399   |   0.0 |  0.09
Output  | 0.00012067 | 0.00012067 | 0.00012067 |   0.0 |  0.00
Modify  | 0.55866    | 0.55866    | 0.55866    |   0.0 |  1.07
Other   |            | 0.06222    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5042.00 ave        5042 max        5042 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      226736.0 ave      226736 max      226736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 226736
Ave neighs/atom = 28.342000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 322.245909422919, Press = -697.600525195018
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -36372.798   -36372.798   -36709.456   -36709.456    325.60397    325.60397    159992.08    159992.08   -165.19202   -165.19202 
    6000   -36390.863   -36390.863   -36711.059   -36711.059    309.68125    309.68125    159661.31    159661.31     1000.648     1000.648 
Loop time of 52.7862 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.637 ns/day, 14.663 hours/ns, 18.944 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    | 52.065     | 52.065     | 52.065     |   0.0 | 98.63
Neigh   | 0.038057   | 0.038057   | 0.038057   |   0.0 |  0.07
Comm    | 0.048556   | 0.048556   | 0.048556   |   0.0 |  0.09
Output  | 0.00022197 | 0.00022197 | 0.00022197 |   0.0 |  0.00
Modify  | 0.57193    | 0.57193    | 0.57193    |   0.0 |  1.08
Other   |            | 0.06259    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5055.00 ave        5055 max        5055 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      226928.0 ave      226928 max      226928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 226928
Ave neighs/atom = 28.366000
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.798216588403, Press = -79.4021451499699
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -36390.863   -36390.863   -36711.059   -36711.059    309.68125    309.68125    159661.31    159661.31     1000.648     1000.648 
    7000   -36380.271   -36380.271   -36705.898   -36705.898    314.93499    314.93499    159883.98    159883.98   -413.08351   -413.08351 
Loop time of 52.221 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.655 ns/day, 14.506 hours/ns, 19.149 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    | 51.51      | 51.51      | 51.51      |   0.0 | 98.64
Neigh   | 0.037731   | 0.037731   | 0.037731   |   0.0 |  0.07
Comm    | 0.047273   | 0.047273   | 0.047273   |   0.0 |  0.09
Output  | 0.00011761 | 0.00011761 | 0.00011761 |   0.0 |  0.00
Modify  | 0.56556    | 0.56556    | 0.56556    |   0.0 |  1.08
Other   |            | 0.06079    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5022.00 ave        5022 max        5022 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      226964.0 ave      226964 max      226964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 226964
Ave neighs/atom = 28.370500
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.476039786678, Press = -13.6679854024028
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -36380.271   -36380.271   -36705.898   -36705.898    314.93499    314.93499    159883.98    159883.98   -413.08351   -413.08351 
    8000   -36387.288   -36387.288   -36712.726   -36712.726    314.75111    314.75111    160057.48    160057.48   -667.97071   -667.97071 
Loop time of 53.198 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.624 ns/day, 14.777 hours/ns, 18.798 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    | 52.28      | 52.28      | 52.28      |   0.0 | 98.28
Neigh   | 0.22764    | 0.22764    | 0.22764    |   0.0 |  0.43
Comm    | 0.050762   | 0.050762   | 0.050762   |   0.0 |  0.10
Output  | 0.00012715 | 0.00012715 | 0.00012715 |   0.0 |  0.00
Modify  | 0.57548    | 0.57548    | 0.57548    |   0.0 |  1.08
Other   |            | 0.06349    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5036.00 ave        5036 max        5036 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      226988.0 ave      226988 max      226988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 226988
Ave neighs/atom = 28.373500
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.343997222283, Press = -4.23637702054422
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -36387.288   -36387.288   -36712.726   -36712.726    314.75111    314.75111    160057.48    160057.48   -667.97071   -667.97071 
    9000   -36378.866   -36378.866   -36707.371   -36707.371    317.71742    317.71742    159926.15    159926.15   -411.56448   -411.56448 
Loop time of 52.3291 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.651 ns/day, 14.536 hours/ns, 19.110 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    | 51.616     | 51.616     | 51.616     |   0.0 | 98.64
Neigh   | 0.037967   | 0.037967   | 0.037967   |   0.0 |  0.07
Comm    | 0.048346   | 0.048346   | 0.048346   |   0.0 |  0.09
Output  | 0.00021943 | 0.00021943 | 0.00021943 |   0.0 |  0.00
Modify  | 0.56588    | 0.56588    | 0.56588    |   0.0 |  1.08
Other   |            | 0.06069    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5040.00 ave        5040 max        5040 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227360.0 ave      227360 max      227360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227360
Ave neighs/atom = 28.420000
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.3382276807, Press = -13.1537477279299
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -36378.866   -36378.866   -36707.371   -36707.371    317.71742    317.71742    159926.15    159926.15   -411.56448   -411.56448 
   10000   -36384.446   -36384.446   -36709.827   -36709.827    314.69621    314.69621    159876.55    159876.55    180.07442    180.07442 
Loop time of 52.5754 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.643 ns/day, 14.604 hours/ns, 19.020 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    | 51.856     | 51.856     | 51.856     |   0.0 | 98.63
Neigh   | 0.03786    | 0.03786    | 0.03786    |   0.0 |  0.07
Comm    | 0.047739   | 0.047739   | 0.047739   |   0.0 |  0.09
Output  | 0.00022757 | 0.00022757 | 0.00022757 |   0.0 |  0.00
Modify  | 0.57062    | 0.57062    | 0.57062    |   0.0 |  1.09
Other   |            | 0.06256    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5059.00 ave        5059 max        5059 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227178.0 ave      227178 max      227178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227178
Ave neighs/atom = 28.397250
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.27727179728, Press = -9.69952155517272
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -36384.446   -36384.446   -36709.827   -36709.827    314.69621    314.69621    159876.55    159876.55    180.07442    180.07442 
   11000   -36384.403   -36384.403   -36706.992   -36706.992    311.99585    311.99585    159901.21    159901.21   -159.24724   -159.24724 
Loop time of 52.776 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.637 ns/day, 14.660 hours/ns, 18.948 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    | 52.015     | 52.015     | 52.015     |   0.0 | 98.56
Neigh   | 0.075295   | 0.075295   | 0.075295   |   0.0 |  0.14
Comm    | 0.048807   | 0.048807   | 0.048807   |   0.0 |  0.09
Output  | 0.00021889 | 0.00021889 | 0.00021889 |   0.0 |  0.00
Modify  | 0.57305    | 0.57305    | 0.57305    |   0.0 |  1.09
Other   |            | 0.06334    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5052.00 ave        5052 max        5052 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227056.0 ave      227056 max      227056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227056
Ave neighs/atom = 28.382000
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.150198641454, Press = -9.88890661483611
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -36384.403   -36384.403   -36706.992   -36706.992    311.99585    311.99585    159901.21    159901.21   -159.24724   -159.24724 
   12000   -36382.763   -36382.763   -36709.945   -36709.945    316.43835    316.43835    159772.02    159772.02    497.10454    497.10454 
Loop time of 52.2367 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.654 ns/day, 14.510 hours/ns, 19.144 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    | 51.486     | 51.486     | 51.486     |   0.0 | 98.56
Neigh   | 0.075613   | 0.075613   | 0.075613   |   0.0 |  0.14
Comm    | 0.04852    | 0.04852    | 0.04852    |   0.0 |  0.09
Output  | 0.00012525 | 0.00012525 | 0.00012525 |   0.0 |  0.00
Modify  | 0.5653     | 0.5653     | 0.5653     |   0.0 |  1.08
Other   |            | 0.06107    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5055.00 ave        5055 max        5055 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227112.0 ave      227112 max      227112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227112
Ave neighs/atom = 28.389000
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.197305025571, Press = -4.16318299272893
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -36382.763   -36382.763   -36709.945   -36709.945    316.43835    316.43835    159772.02    159772.02    497.10454    497.10454 
   13000   -36377.722   -36377.722   -36708.665   -36708.665    320.07547    320.07547    159909.16    159909.16   -215.73495   -215.73495 
Loop time of 51.8307 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.397 hours/ns, 19.294 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    | 51.129     | 51.129     | 51.129     |   0.0 | 98.65
Neigh   | 0.037744   | 0.037744   | 0.037744   |   0.0 |  0.07
Comm    | 0.04778    | 0.04778    | 0.04778    |   0.0 |  0.09
Output  | 0.00012416 | 0.00012416 | 0.00012416 |   0.0 |  0.00
Modify  | 0.55822    | 0.55822    | 0.55822    |   0.0 |  1.08
Other   |            | 0.05733    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5065.00 ave        5065 max        5065 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227166.0 ave      227166 max      227166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227166
Ave neighs/atom = 28.395750
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.209739639646, Press = -5.90780797328638
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -36377.722   -36377.722   -36708.665   -36708.665    320.07547    320.07547    159909.16    159909.16   -215.73495   -215.73495 
   14000   -36389.115   -36389.115   -36711.137   -36711.137    311.44709    311.44709    159844.82    159844.82    -252.1185    -252.1185 
Loop time of 51.9743 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.662 ns/day, 14.437 hours/ns, 19.240 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    | 51.123     | 51.123     | 51.123     |   0.0 | 98.36
Neigh   | 0.18833    | 0.18833    | 0.18833    |   0.0 |  0.36
Comm    | 0.048936   | 0.048936   | 0.048936   |   0.0 |  0.09
Output  | 0.00012713 | 0.00012713 | 0.00012713 |   0.0 |  0.00
Modify  | 0.55757    | 0.55757    | 0.55757    |   0.0 |  1.07
Other   |            | 0.05607    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5036.00 ave        5036 max        5036 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227204.0 ave      227204 max      227204 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227204
Ave neighs/atom = 28.400500
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.288008913016, Press = -6.57803493863774
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -36389.115   -36389.115   -36711.137   -36711.137    311.44709    311.44709    159844.82    159844.82    -252.1185    -252.1185 
   15000   -36382.032   -36382.032   -36707.908   -36707.908    315.17523    315.17523    159833.59    159833.59     73.03499     73.03499 
Loop time of 52.0112 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.661 ns/day, 14.448 hours/ns, 19.227 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    | 51.123     | 51.123     | 51.123     |   0.0 | 98.29
Neigh   | 0.22565    | 0.22565    | 0.22565    |   0.0 |  0.43
Comm    | 0.048994   | 0.048994   | 0.048994   |   0.0 |  0.09
Output  | 0.00011927 | 0.00011927 | 0.00011927 |   0.0 |  0.00
Modify  | 0.55799    | 0.55799    | 0.55799    |   0.0 |  1.07
Other   |            | 0.05578    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5046.00 ave        5046 max        5046 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227128.0 ave      227128 max      227128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227128
Ave neighs/atom = 28.391000
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.186775279228, Press = -7.99331939373292
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -36382.032   -36382.032   -36707.908   -36707.908    315.17523    315.17523    159833.59    159833.59     73.03499     73.03499 
   16000     -36390.3     -36390.3   -36711.966   -36711.966    311.10433    311.10433    159896.03    159896.03   -336.15698   -336.15698 
Loop time of 51.9639 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.663 ns/day, 14.434 hours/ns, 19.244 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    | 51.116     | 51.116     | 51.116     |   0.0 | 98.37
Neigh   | 0.18777    | 0.18777    | 0.18777    |   0.0 |  0.36
Comm    | 0.048083   | 0.048083   | 0.048083   |   0.0 |  0.09
Output  | 9.4999e-05 | 9.4999e-05 | 9.4999e-05 |   0.0 |  0.00
Modify  | 0.55542    | 0.55542    | 0.55542    |   0.0 |  1.07
Other   |            | 0.05635    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5046.00 ave        5046 max        5046 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227292.0 ave      227292 max      227292 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227292
Ave neighs/atom = 28.411500
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.176960372868, Press = -3.5407156532445
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000     -36390.3     -36390.3   -36711.966   -36711.966    311.10433    311.10433    159896.03    159896.03   -336.15698   -336.15698 
   17000   -36380.421   -36380.421   -36707.554   -36707.554    316.39141    316.39141    159986.67    159986.67   -814.19982   -814.19982 
Loop time of 51.824 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.396 hours/ns, 19.296 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    | 51.124     | 51.124     | 51.124     |   0.0 | 98.65
Neigh   | 0.037821   | 0.037821   | 0.037821   |   0.0 |  0.07
Comm    | 0.047618   | 0.047618   | 0.047618   |   0.0 |  0.09
Output  | 0.00012305 | 0.00012305 | 0.00012305 |   0.0 |  0.00
Modify  | 0.55775    | 0.55775    | 0.55775    |   0.0 |  1.08
Other   |            | 0.05713    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5044.00 ave        5044 max        5044 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227210.0 ave      227210 max      227210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227210
Ave neighs/atom = 28.401250
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.183823648421, Press = -4.21859287632376
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -36380.421   -36380.421   -36707.554   -36707.554    316.39141    316.39141    159986.67    159986.67   -814.19982   -814.19982 
   18000   -36387.246   -36387.246   -36707.739   -36707.739    309.96924    309.96924    159822.46    159822.46   -61.858573   -61.858573 
Loop time of 51.819 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.394 hours/ns, 19.298 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    | 51.119     | 51.119     | 51.119     |   0.0 | 98.65
Neigh   | 0.037674   | 0.037674   | 0.037674   |   0.0 |  0.07
Comm    | 0.046368   | 0.046368   | 0.046368   |   0.0 |  0.09
Output  | 0.00012486 | 0.00012486 | 0.00012486 |   0.0 |  0.00
Modify  | 0.55818    | 0.55818    | 0.55818    |   0.0 |  1.08
Other   |            | 0.05737    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5055.00 ave        5055 max        5055 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227188.0 ave      227188 max      227188 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227188
Ave neighs/atom = 28.398500
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.09546529069, Press = -3.30204050218566
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -36387.246   -36387.246   -36707.739   -36707.739    309.96924    309.96924    159822.46    159822.46   -61.858573   -61.858573 
   19000   -36377.792   -36377.792   -36704.046   -36704.046    315.54052    315.54052    159867.46    159867.46   -371.08236   -371.08236 
Loop time of 51.9214 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.664 ns/day, 14.423 hours/ns, 19.260 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    | 51.146     | 51.146     | 51.146     |   0.0 | 98.51
Neigh   | 0.11291    | 0.11291    | 0.11291    |   0.0 |  0.22
Comm    | 0.048257   | 0.048257   | 0.048257   |   0.0 |  0.09
Output  | 0.00012448 | 0.00012448 | 0.00012448 |   0.0 |  0.00
Modify  | 0.55758    | 0.55758    | 0.55758    |   0.0 |  1.07
Other   |            | 0.05687    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5052.00 ave        5052 max        5052 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227246.0 ave      227246 max      227246 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227246
Ave neighs/atom = 28.405750
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.159272492196, Press = -4.35063150359468
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -36377.792   -36377.792   -36704.046   -36704.046    315.54052    315.54052    159867.46    159867.46   -371.08236   -371.08236 
   20000   -36388.502   -36388.502   -36709.971   -36709.971    310.91286    310.91286    159911.36    159911.36   -408.45144   -408.45144 
Loop time of 51.6629 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.351 hours/ns, 19.356 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    | 51.003     | 51.003     | 51.003     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045871   | 0.045871   | 0.045871   |   0.0 |  0.09
Output  | 0.00012356 | 0.00012356 | 0.00012356 |   0.0 |  0.00
Modify  | 0.55683    | 0.55683    | 0.55683    |   0.0 |  1.08
Other   |            | 0.0569     |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5061.00 ave        5061 max        5061 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227238.0 ave      227238 max      227238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227238
Ave neighs/atom = 28.404750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.118676151787, Press = -3.03961726172091
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -36388.502   -36388.502   -36709.971   -36709.971    310.91286    310.91286    159911.36    159911.36   -408.45144   -408.45144 
   21000   -36384.162   -36384.162   -36710.262   -36710.262    315.39153    315.39153     159696.5     159696.5    1018.3873    1018.3873 
Loop time of 51.6209 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.674 ns/day, 14.339 hours/ns, 19.372 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    | 50.962     | 50.962     | 50.962     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045491   | 0.045491   | 0.045491   |   0.0 |  0.09
Output  | 0.0001185  | 0.0001185  | 0.0001185  |   0.0 |  0.00
Modify  | 0.55613    | 0.55613    | 0.55613    |   0.0 |  1.08
Other   |            | 0.05673    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5046.00 ave        5046 max        5046 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227220.0 ave      227220 max      227220 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227220
Ave neighs/atom = 28.402500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.11801180002, Press = -1.47373239102034
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -36384.162   -36384.162   -36710.262   -36710.262    315.39153    315.39153     159696.5     159696.5    1018.3873    1018.3873 
   22000   -36386.184   -36386.184   -36708.413   -36708.413    311.64775    311.64775     159783.7     159783.7    155.61257    155.61257 
Loop time of 51.5955 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.675 ns/day, 14.332 hours/ns, 19.382 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.937     | 50.937     | 50.937     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045171   | 0.045171   | 0.045171   |   0.0 |  0.09
Output  | 0.00012048 | 0.00012048 | 0.00012048 |   0.0 |  0.00
Modify  | 0.55598    | 0.55598    | 0.55598    |   0.0 |  1.08
Other   |            | 0.05677    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5041.00 ave        5041 max        5041 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227190.0 ave      227190 max      227190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227190
Ave neighs/atom = 28.398750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.098809859067, Press = -3.40012501803652
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -36386.184   -36386.184   -36708.413   -36708.413    311.64775    311.64775     159783.7     159783.7    155.61257    155.61257 
   23000   -36394.236   -36394.236    -36710.65    -36710.65    306.02436    306.02436     159776.1     159776.1     5.475131     5.475131 
Loop time of 51.8155 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.393 hours/ns, 19.299 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    | 50.968     | 50.968     | 50.968     |   0.0 | 98.36
Neigh   | 0.1876     | 0.1876     | 0.1876     |   0.0 |  0.36
Comm    | 0.048337   | 0.048337   | 0.048337   |   0.0 |  0.09
Output  | 9.0337e-05 | 9.0337e-05 | 9.0337e-05 |   0.0 |  0.00
Modify  | 0.55561    | 0.55561    | 0.55561    |   0.0 |  1.07
Other   |            | 0.05572    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5047.00 ave        5047 max        5047 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227172.0 ave      227172 max      227172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227172
Ave neighs/atom = 28.396500
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.070361796598, Press = -1.21801006109308
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -36394.236   -36394.236    -36710.65    -36710.65    306.02436    306.02436     159776.1     159776.1     5.475131     5.475131 
   24000   -36382.911   -36382.911   -36708.727   -36708.727    315.11783    315.11783    159965.35    159965.35   -769.23678   -769.23678 
Loop time of 51.6671 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.352 hours/ns, 19.355 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.97      | 50.97      | 50.97      |   0.0 | 98.65
Neigh   | 0.037864   | 0.037864   | 0.037864   |   0.0 |  0.07
Comm    | 0.047033   | 0.047033   | 0.047033   |   0.0 |  0.09
Output  | 0.00011806 | 0.00011806 | 0.00011806 |   0.0 |  0.00
Modify  | 0.55514    | 0.55514    | 0.55514    |   0.0 |  1.07
Other   |            | 0.05673    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5053.00 ave        5053 max        5053 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227190.0 ave      227190 max      227190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227190
Ave neighs/atom = 28.398750
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.002902354315, Press = -1.8411437492614
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -36382.911   -36382.911   -36708.727   -36708.727    315.11783    315.11783    159965.35    159965.35   -769.23678   -769.23678 
   25000   -36383.711   -36383.711   -36713.032   -36713.032    318.50779    318.50779    159890.95    159890.95   -356.44966   -356.44966 
Loop time of 51.7703 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.669 ns/day, 14.381 hours/ns, 19.316 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    | 50.959     | 50.959     | 50.959     |   0.0 | 98.43
Neigh   | 0.15052    | 0.15052    | 0.15052    |   0.0 |  0.29
Comm    | 0.048278   | 0.048278   | 0.048278   |   0.0 |  0.09
Output  | 0.000122   | 0.000122   | 0.000122   |   0.0 |  0.00
Modify  | 0.55595    | 0.55595    | 0.55595    |   0.0 |  1.07
Other   |            | 0.05613    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5052.00 ave        5052 max        5052 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      226970.0 ave      226970 max      226970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 226970
Ave neighs/atom = 28.371250
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.967905644755, Press = -1.28536523975402
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -36383.711   -36383.711   -36713.032   -36713.032    318.50779    318.50779    159890.95    159890.95   -356.44966   -356.44966 
   26000   -36386.594   -36386.594   -36708.753   -36708.753    311.58027    311.58027    159865.51    159865.51   -108.32212   -108.32212 
Loop time of 51.5526 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.320 hours/ns, 19.398 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    | 50.894     | 50.894     | 50.894     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045664   | 0.045664   | 0.045664   |   0.0 |  0.09
Output  | 0.00039563 | 0.00039563 | 0.00039563 |   0.0 |  0.00
Modify  | 0.55583    | 0.55583    | 0.55583    |   0.0 |  1.08
Other   |            | 0.05709    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5058.00 ave        5058 max        5058 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227064.0 ave      227064 max      227064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227064
Ave neighs/atom = 28.383000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.963530424929, Press = -1.74469393692196
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -36386.594   -36386.594   -36708.753   -36708.753    311.58027    311.58027    159865.51    159865.51   -108.32212   -108.32212 
   27000   -36384.527   -36384.527     -36708.3     -36708.3    313.14081    313.14081    159939.68    159939.68   -641.66354   -641.66354 
Loop time of 51.6756 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.354 hours/ns, 19.352 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    | 50.978     | 50.978     | 50.978     |   0.0 | 98.65
Neigh   | 0.037456   | 0.037456   | 0.037456   |   0.0 |  0.07
Comm    | 0.047407   | 0.047407   | 0.047407   |   0.0 |  0.09
Output  | 0.00012785 | 0.00012785 | 0.00012785 |   0.0 |  0.00
Modify  | 0.55572    | 0.55572    | 0.55572    |   0.0 |  1.08
Other   |            | 0.05693    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5055.00 ave        5055 max        5055 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227252.0 ave      227252 max      227252 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227252
Ave neighs/atom = 28.406500
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.980732065998, Press = -2.1430099865095
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -36384.527   -36384.527     -36708.3     -36708.3    313.14081    313.14081    159939.68    159939.68   -641.66354   -641.66354 
   28000   -36386.317   -36386.317   -36711.657   -36711.657     314.6564     314.6564    159841.53    159841.53    155.26859    155.26859 
Loop time of 51.5683 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.675 ns/day, 14.325 hours/ns, 19.392 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    | 50.91      | 50.91      | 50.91      |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045424   | 0.045424   | 0.045424   |   0.0 |  0.09
Output  | 9.0128e-05 | 9.0128e-05 | 9.0128e-05 |   0.0 |  0.00
Modify  | 0.55564    | 0.55564    | 0.55564    |   0.0 |  1.08
Other   |            | 0.05702    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5045.00 ave        5045 max        5045 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227174.0 ave      227174 max      227174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227174
Ave neighs/atom = 28.396750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.9684271197, Press = -1.87172175051557
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -36386.317   -36386.317   -36711.657   -36711.657     314.6564     314.6564    159841.53    159841.53    155.26859    155.26859 
   29000   -36381.352   -36381.352   -36708.187   -36708.187    316.10334    316.10334    159819.03    159819.03    188.43759    188.43759 
Loop time of 51.7184 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.671 ns/day, 14.366 hours/ns, 19.335 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    | 50.947     | 50.947     | 50.947     |   0.0 | 98.51
Neigh   | 0.11246    | 0.11246    | 0.11246    |   0.0 |  0.22
Comm    | 0.047025   | 0.047025   | 0.047025   |   0.0 |  0.09
Output  | 0.00011767 | 0.00011767 | 0.00011767 |   0.0 |  0.00
Modify  | 0.55543    | 0.55543    | 0.55543    |   0.0 |  1.07
Other   |            | 0.05651    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5041.00 ave        5041 max        5041 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227340.0 ave      227340 max      227340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227340
Ave neighs/atom = 28.417500
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.951505214386, Press = -2.00570022226636
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -36381.352   -36381.352   -36708.187   -36708.187    316.10334    316.10334    159819.03    159819.03    188.43759    188.43759 
   30000   -36379.444   -36379.444   -36700.875   -36700.875    310.87553    310.87553    159911.95    159911.95   -341.56676   -341.56676 
Loop time of 51.6566 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.673 ns/day, 14.349 hours/ns, 19.359 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    | 50.959     | 50.959     | 50.959     |   0.0 | 98.65
Neigh   | 0.037667   | 0.037667   | 0.037667   |   0.0 |  0.07
Comm    | 0.047611   | 0.047611   | 0.047611   |   0.0 |  0.09
Output  | 8.9611e-05 | 8.9611e-05 | 8.9611e-05 |   0.0 |  0.00
Modify  | 0.5554     | 0.5554     | 0.5554     |   0.0 |  1.08
Other   |            | 0.05675    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5051.00 ave        5051 max        5051 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227144.0 ave      227144 max      227144 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227144
Ave neighs/atom = 28.393000
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.961338362829, Press = -1.74481471647216
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -36379.444   -36379.444   -36700.875   -36700.875    310.87553    310.87553    159911.95    159911.95   -341.56676   -341.56676 
   31000   -36385.694   -36385.694   -36712.684   -36712.684    316.25349    316.25349    159712.83    159712.83    1035.8915    1035.8915 
Loop time of 51.6837 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.357 hours/ns, 19.348 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    | 50.986     | 50.986     | 50.986     |   0.0 | 98.65
Neigh   | 0.037834   | 0.037834   | 0.037834   |   0.0 |  0.07
Comm    | 0.047383   | 0.047383   | 0.047383   |   0.0 |  0.09
Output  | 0.00011967 | 0.00011967 | 0.00011967 |   0.0 |  0.00
Modify  | 0.55553    | 0.55553    | 0.55553    |   0.0 |  1.07
Other   |            | 0.05694    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5054.00 ave        5054 max        5054 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227266.0 ave      227266 max      227266 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227266
Ave neighs/atom = 28.408250
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.948476603866, Press = -1.74962809478887
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -36385.694   -36385.694   -36712.684   -36712.684    316.25349    316.25349    159712.83    159712.83    1035.8915    1035.8915 
   32000   -36387.546   -36387.546   -36708.697   -36708.697    310.60537    310.60537    159824.54    159824.54    138.57547    138.57547 
Loop time of 51.5521 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.320 hours/ns, 19.398 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    | 50.896     | 50.896     | 50.896     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045139   | 0.045139   | 0.045139   |   0.0 |  0.09
Output  | 0.00011702 | 0.00011702 | 0.00011702 |   0.0 |  0.00
Modify  | 0.55378    | 0.55378    | 0.55378    |   0.0 |  1.07
Other   |            | 0.057      |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5058.00 ave        5058 max        5058 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227138.0 ave      227138 max      227138 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227138
Ave neighs/atom = 28.392250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.944305233384, Press = -0.489030735314013
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -36387.546   -36387.546   -36708.697   -36708.697    310.60537    310.60537    159824.54    159824.54    138.57547    138.57547 
   33000   -36381.839   -36381.839   -36710.956   -36710.956    318.30922    318.30922    159849.86    159849.86    62.530858    62.530858 
Loop time of 51.644 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.673 ns/day, 14.346 hours/ns, 19.363 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    | 50.947     | 50.947     | 50.947     |   0.0 | 98.65
Neigh   | 0.037479   | 0.037479   | 0.037479   |   0.0 |  0.07
Comm    | 0.047129   | 0.047129   | 0.047129   |   0.0 |  0.09
Output  | 0.00011793 | 0.00011793 | 0.00011793 |   0.0 |  0.00
Modify  | 0.55531    | 0.55531    | 0.55531    |   0.0 |  1.08
Other   |            | 0.05673    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5057.00 ave        5057 max        5057 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227040.0 ave      227040 max      227040 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227040
Ave neighs/atom = 28.380000
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.901140625029, Press = -1.27527596681749
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -36381.839   -36381.839   -36710.956   -36710.956    318.30922    318.30922    159849.86    159849.86    62.530858    62.530858 
   34000   -36381.285   -36381.285   -36707.507   -36707.507    315.50988    315.50988    159792.42    159792.42    306.46395    306.46395 
Loop time of 51.556 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.321 hours/ns, 19.396 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    | 50.897     | 50.897     | 50.897     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045222   | 0.045222   | 0.045222   |   0.0 |  0.09
Output  | 0.00012764 | 0.00012764 | 0.00012764 |   0.0 |  0.00
Modify  | 0.55618    | 0.55618    | 0.55618    |   0.0 |  1.08
Other   |            | 0.0576     |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5039.00 ave        5039 max        5039 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227162.0 ave      227162 max      227162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227162
Ave neighs/atom = 28.395250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.913356966276, Press = -1.26437622389079
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -36381.285   -36381.285   -36707.507   -36707.507    315.50988    315.50988    159792.42    159792.42    306.46395    306.46395 
   35000   -36381.993   -36381.993   -36709.875   -36709.875     317.1149     317.1149    159773.27    159773.27    172.90288    172.90288 
Loop time of 51.7321 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.670 ns/day, 14.370 hours/ns, 19.330 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    | 50.957     | 50.957     | 50.957     |   0.0 | 98.50
Neigh   | 0.11285    | 0.11285    | 0.11285    |   0.0 |  0.22
Comm    | 0.048199   | 0.048199   | 0.048199   |   0.0 |  0.09
Output  | 0.00019778 | 0.00019778 | 0.00019778 |   0.0 |  0.00
Modify  | 0.55701    | 0.55701    | 0.55701    |   0.0 |  1.08
Other   |            | 0.05723    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5057.00 ave        5057 max        5057 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227312.0 ave      227312 max      227312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227312
Ave neighs/atom = 28.414000
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.899990914332, Press = -1.0389049498892
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -36381.993   -36381.993   -36709.875   -36709.875     317.1149     317.1149    159773.27    159773.27    172.90288    172.90288 
   36000   -36384.572   -36384.572   -36705.203   -36705.203    310.10263    310.10263    159888.09    159888.09   -301.34679   -301.34679 
Loop time of 51.6518 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.673 ns/day, 14.348 hours/ns, 19.360 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    | 50.953     | 50.953     | 50.953     |   0.0 | 98.65
Neigh   | 0.037544   | 0.037544   | 0.037544   |   0.0 |  0.07
Comm    | 0.047426   | 0.047426   | 0.047426   |   0.0 |  0.09
Output  | 0.00012294 | 0.00012294 | 0.00012294 |   0.0 |  0.00
Modify  | 0.55677    | 0.55677    | 0.55677    |   0.0 |  1.08
Other   |            | 0.05707    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5047.00 ave        5047 max        5047 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227012.0 ave      227012 max      227012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227012
Ave neighs/atom = 28.376500
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.857719358361, Press = -0.671268935820768
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -36384.572   -36384.572   -36705.203   -36705.203    310.10263    310.10263    159888.09    159888.09   -301.34679   -301.34679 
   37000   -36387.639   -36387.639   -36712.173   -36712.173     313.8764     313.8764     159884.9     159884.9   -240.37238   -240.37238 
Loop time of 51.8254 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.396 hours/ns, 19.296 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    | 50.977     | 50.977     | 50.977     |   0.0 | 98.36
Neigh   | 0.18711    | 0.18711    | 0.18711    |   0.0 |  0.36
Comm    | 0.048609   | 0.048609   | 0.048609   |   0.0 |  0.09
Output  | 0.00011327 | 0.00011327 | 0.00011327 |   0.0 |  0.00
Modify  | 0.55676    | 0.55676    | 0.55676    |   0.0 |  1.07
Other   |            | 0.05602    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5053.00 ave        5053 max        5053 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227100.0 ave      227100 max      227100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227100
Ave neighs/atom = 28.387500
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.864195522504, Press = -1.8395856342059
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -36387.639   -36387.639   -36712.173   -36712.173     313.8764     313.8764     159884.9     159884.9   -240.37238   -240.37238 
   38000   -36387.557   -36387.557   -36708.709   -36708.709    310.60596    310.60596    159877.34    159877.34   -394.78613   -394.78613 
Loop time of 51.8318 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.398 hours/ns, 19.293 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    | 50.946     | 50.946     | 50.946     |   0.0 | 98.29
Neigh   | 0.22503    | 0.22503    | 0.22503    |   0.0 |  0.43
Comm    | 0.048736   | 0.048736   | 0.048736   |   0.0 |  0.09
Output  | 8.7295e-05 | 8.7295e-05 | 8.7295e-05 |   0.0 |  0.00
Modify  | 0.55623    | 0.55623    | 0.55623    |   0.0 |  1.07
Other   |            | 0.05586    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5040.00 ave        5040 max        5040 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227130.0 ave      227130 max      227130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227130
Ave neighs/atom = 28.391250
Neighbor list builds = 6
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.83199961755, Press = -1.04117499078721
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -36387.557   -36387.557   -36708.709   -36708.709    310.60596    310.60596    159877.34    159877.34   -394.78613   -394.78613 
   39000   -36387.447   -36387.447   -36711.309   -36711.309    313.22641    313.22641    159913.01    159913.01   -443.57116   -443.57116 
Loop time of 51.799 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.668 ns/day, 14.389 hours/ns, 19.305 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.951     | 50.951     | 50.951     |   0.0 | 98.36
Neigh   | 0.18709    | 0.18709    | 0.18709    |   0.0 |  0.36
Comm    | 0.04847    | 0.04847    | 0.04847    |   0.0 |  0.09
Output  | 0.00011597 | 0.00011597 | 0.00011597 |   0.0 |  0.00
Modify  | 0.55603    | 0.55603    | 0.55603    |   0.0 |  1.07
Other   |            | 0.05588    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5059.00 ave        5059 max        5059 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227246.0 ave      227246 max      227246 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227246
Ave neighs/atom = 28.405750
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.835363569441, Press = -1.18693796810979
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -36387.447   -36387.447   -36711.309   -36711.309    313.22641    313.22641    159913.01    159913.01   -443.57116   -443.57116 
   40000    -36380.98    -36380.98   -36705.372   -36705.372    313.73967    313.73967    159927.06    159927.06   -456.56612   -456.56612 
Loop time of 51.5579 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.322 hours/ns, 19.396 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    | 50.899     | 50.899     | 50.899     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045332   | 0.045332   | 0.045332   |   0.0 |  0.09
Output  | 0.00011854 | 0.00011854 | 0.00011854 |   0.0 |  0.00
Modify  | 0.55631    | 0.55631    | 0.55631    |   0.0 |  1.08
Other   |            | 0.05696    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5045.00 ave        5045 max        5045 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227218.0 ave      227218 max      227218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227218
Ave neighs/atom = 28.402250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.841443044104, Press = -1.26003128298416
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000    -36380.98    -36380.98   -36705.372   -36705.372    313.73967    313.73967    159927.06    159927.06   -456.56612   -456.56612 
   41000   -36381.934   -36381.934   -36708.447   -36708.447    315.79141    315.79141    159900.57    159900.57   -577.34535   -577.34535 
Loop time of 51.5557 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.321 hours/ns, 19.397 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    | 50.897     | 50.897     | 50.897     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045576   | 0.045576   | 0.045576   |   0.0 |  0.09
Output  | 0.00011689 | 0.00011689 | 0.00011689 |   0.0 |  0.00
Modify  | 0.55638    | 0.55638    | 0.55638    |   0.0 |  1.08
Other   |            | 0.05701    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5047.00 ave        5047 max        5047 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227224.0 ave      227224 max      227224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227224
Ave neighs/atom = 28.403000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.853780592247, Press = -0.79676522154994
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -36381.934   -36381.934   -36708.447   -36708.447    315.79141    315.79141    159900.57    159900.57   -577.34535   -577.34535 
   42000    -36388.76    -36388.76   -36714.855   -36714.855    315.38745    315.38745    159952.76    159952.76   -568.80809   -568.80809 
Loop time of 51.5634 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.323 hours/ns, 19.394 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    | 50.905     | 50.905     | 50.905     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045369   | 0.045369   | 0.045369   |   0.0 |  0.09
Output  | 0.00011677 | 0.00011677 | 0.00011677 |   0.0 |  0.00
Modify  | 0.55625    | 0.55625    | 0.55625    |   0.0 |  1.08
Other   |            | 0.0568     |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5036.00 ave        5036 max        5036 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227248.0 ave      227248 max      227248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227248
Ave neighs/atom = 28.406000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.865118691005, Press = -0.905571483076009
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000    -36388.76    -36388.76   -36714.855   -36714.855    315.38745    315.38745    159952.76    159952.76   -568.80809   -568.80809 
   43000    -36381.84    -36381.84   -36710.426   -36710.426    317.79576    317.79576    159849.74    159849.74    83.332063    83.332063 
Loop time of 51.5589 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.322 hours/ns, 19.395 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    | 50.9       | 50.9       | 50.9       |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045547   | 0.045547   | 0.045547   |   0.0 |  0.09
Output  | 0.00011807 | 0.00011807 | 0.00011807 |   0.0 |  0.00
Modify  | 0.55624    | 0.55624    | 0.55624    |   0.0 |  1.08
Other   |            | 0.05669    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5032.00 ave        5032 max        5032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227186.0 ave      227186 max      227186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227186
Ave neighs/atom = 28.398250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.893933732555, Press = -1.46894043819053
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000    -36381.84    -36381.84   -36710.426   -36710.426    317.79576    317.79576    159849.74    159849.74    83.332063    83.332063 
   44000   -36386.524   -36386.524   -36708.228   -36708.228    311.14059    311.14059    159729.62    159729.62    704.38901    704.38901 
Loop time of 51.6794 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.355 hours/ns, 19.350 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    | 50.943     | 50.943     | 50.943     |   0.0 | 98.58
Neigh   | 0.074905   | 0.074905   | 0.074905   |   0.0 |  0.14
Comm    | 0.047451   | 0.047451   | 0.047451   |   0.0 |  0.09
Output  | 0.00011595 | 0.00011595 | 0.00011595 |   0.0 |  0.00
Modify  | 0.55659    | 0.55659    | 0.55659    |   0.0 |  1.08
Other   |            | 0.05694    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5059.00 ave        5059 max        5059 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227208.0 ave      227208 max      227208 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227208
Ave neighs/atom = 28.401000
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.91607550646, Press = -1.05534047509785
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -36386.524   -36386.524   -36708.228   -36708.228    311.14059    311.14059    159729.62    159729.62    704.38901    704.38901 
   45000   -36388.138   -36388.138   -36711.362   -36711.362    312.61027    312.61027    159864.23    159864.23    -442.4501    -442.4501 
Loop time of 51.5536 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.320 hours/ns, 19.397 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    | 50.895     | 50.895     | 50.895     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04521    | 0.04521    | 0.04521    |   0.0 |  0.09
Output  | 8.943e-05  | 8.943e-05  | 8.943e-05  |   0.0 |  0.00
Modify  | 0.55654    | 0.55654    | 0.55654    |   0.0 |  1.08
Other   |            | 0.05679    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5041.00 ave        5041 max        5041 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227218.0 ave      227218 max      227218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227218
Ave neighs/atom = 28.402250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.919017020891, Press = -0.263311828382913
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -36388.138   -36388.138   -36711.362   -36711.362    312.61027    312.61027    159864.23    159864.23    -442.4501    -442.4501 
   46000   -36384.889   -36384.889   -36707.542   -36707.542    312.05744    312.05744    159944.39    159944.39    -560.0363    -560.0363 
Loop time of 51.8047 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.668 ns/day, 14.390 hours/ns, 19.303 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    | 50.955     | 50.955     | 50.955     |   0.0 | 98.36
Neigh   | 0.18786    | 0.18786    | 0.18786    |   0.0 |  0.36
Comm    | 0.048975   | 0.048975   | 0.048975   |   0.0 |  0.09
Output  | 0.0001413  | 0.0001413  | 0.0001413  |   0.0 |  0.00
Modify  | 0.55649    | 0.55649    | 0.55649    |   0.0 |  1.07
Other   |            | 0.05621    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5053.00 ave        5053 max        5053 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227382.0 ave      227382 max      227382 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227382
Ave neighs/atom = 28.422750
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.897074280388, Press = -1.85217007971226
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -36384.889   -36384.889   -36707.542   -36707.542    312.05744    312.05744    159944.39    159944.39    -560.0363    -560.0363 
   47000     -36383.8     -36383.8     -36708.9     -36708.9     314.4243     314.4243    159853.19    159853.19    88.884867    88.884867 
Loop time of 51.5645 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.323 hours/ns, 19.393 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    | 50.907     | 50.907     | 50.907     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044739   | 0.044739   | 0.044739   |   0.0 |  0.09
Output  | 0.00018547 | 0.00018547 | 0.00018547 |   0.0 |  0.00
Modify  | 0.55518    | 0.55518    | 0.55518    |   0.0 |  1.08
Other   |            | 0.05762    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5051.00 ave        5051 max        5051 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227122.0 ave      227122 max      227122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227122
Ave neighs/atom = 28.390250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.8922035025, Press = -1.35827574576951
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000     -36383.8     -36383.8     -36708.9     -36708.9     314.4243     314.4243    159853.19    159853.19    88.884867    88.884867 
   48000   -36388.088   -36388.088   -36713.627   -36713.627    314.84946    314.84946    159800.89    159800.89    503.38078    503.38078 
Loop time of 51.7513 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.670 ns/day, 14.375 hours/ns, 19.323 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    | 50.978     | 50.978     | 50.978     |   0.0 | 98.51
Neigh   | 0.11326    | 0.11326    | 0.11326    |   0.0 |  0.22
Comm    | 0.0475     | 0.0475     | 0.0475     |   0.0 |  0.09
Output  | 0.00012092 | 0.00012092 | 0.00012092 |   0.0 |  0.00
Modify  | 0.55598    | 0.55598    | 0.55598    |   0.0 |  1.07
Other   |            | 0.05614    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5045.00 ave        5045 max        5045 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227346.0 ave      227346 max      227346 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227346
Ave neighs/atom = 28.418250
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.892966851829, Press = -1.02504597775905
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -36388.088   -36388.088   -36713.627   -36713.627    314.84946    314.84946    159800.89    159800.89    503.38078    503.38078 
   49000   -36385.818   -36385.818   -36706.097   -36706.097    309.76249    309.76249    159751.54    159751.54    493.58904    493.58904 
Loop time of 51.5905 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.675 ns/day, 14.331 hours/ns, 19.383 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    | 50.933     | 50.933     | 50.933     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045164   | 0.045164   | 0.045164   |   0.0 |  0.09
Output  | 0.00012177 | 0.00012177 | 0.00012177 |   0.0 |  0.00
Modify  | 0.55576    | 0.55576    | 0.55576    |   0.0 |  1.08
Other   |            | 0.05665    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5046.00 ave        5046 max        5046 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227234.0 ave      227234 max      227234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227234
Ave neighs/atom = 28.404250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.892223955164, Press = -1.11366684379907
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -36385.818   -36385.818   -36706.097   -36706.097    309.76249    309.76249    159751.54    159751.54    493.58904    493.58904 
   50000   -36390.086   -36390.086    -36710.51    -36710.51    309.90198    309.90198    159824.58    159824.58    177.60653    177.60653 
Loop time of 51.7298 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.670 ns/day, 14.369 hours/ns, 19.331 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    | 50.995     | 50.995     | 50.995     |   0.0 | 98.58
Neigh   | 0.074987   | 0.074987   | 0.074987   |   0.0 |  0.14
Comm    | 0.047318   | 0.047318   | 0.047318   |   0.0 |  0.09
Output  | 0.00012546 | 0.00012546 | 0.00012546 |   0.0 |  0.00
Modify  | 0.55595    | 0.55595    | 0.55595    |   0.0 |  1.07
Other   |            | 0.05627    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5044.00 ave        5044 max        5044 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227154.0 ave      227154 max      227154 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227154
Ave neighs/atom = 28.394250
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.869873261097, Press = -1.31049507958245
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -36390.086   -36390.086    -36710.51    -36710.51    309.90198    309.90198    159824.58    159824.58    177.60653    177.60653 
   51000   -36386.181   -36386.181   -36708.405   -36708.405    311.64317    311.64317    159869.18    159869.18   -225.99094   -225.99094 
Loop time of 51.8463 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.666 ns/day, 14.402 hours/ns, 19.288 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    | 50.998     | 50.998     | 50.998     |   0.0 | 98.36
Neigh   | 0.18794    | 0.18794    | 0.18794    |   0.0 |  0.36
Comm    | 0.04865    | 0.04865    | 0.04865    |   0.0 |  0.09
Output  | 0.00012165 | 0.00012165 | 0.00012165 |   0.0 |  0.00
Modify  | 0.55578    | 0.55578    | 0.55578    |   0.0 |  1.07
Other   |            | 0.05578    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5044.00 ave        5044 max        5044 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227156.0 ave      227156 max      227156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227156
Ave neighs/atom = 28.394500
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88987780502, Press = -0.859340284583244
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -36386.181   -36386.181   -36708.405   -36708.405    311.64317    311.64317    159869.18    159869.18   -225.99094   -225.99094 
   52000   -36392.052   -36392.052   -36712.696   -36712.696    310.11437    310.11437    159739.53    159739.53     699.7851     699.7851 
Loop time of 51.6912 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.671 ns/day, 14.359 hours/ns, 19.346 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    | 50.994     | 50.994     | 50.994     |   0.0 | 98.65
Neigh   | 0.037548   | 0.037548   | 0.037548   |   0.0 |  0.07
Comm    | 0.047202   | 0.047202   | 0.047202   |   0.0 |  0.09
Output  | 0.00012042 | 0.00012042 | 0.00012042 |   0.0 |  0.00
Modify  | 0.55576    | 0.55576    | 0.55576    |   0.0 |  1.08
Other   |            | 0.05654    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5044.00 ave        5044 max        5044 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227224.0 ave      227224 max      227224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227224
Ave neighs/atom = 28.403000
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.89180421998, Press = -0.89874284892019
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -36392.052   -36392.052   -36712.696   -36712.696    310.11437    310.11437    159739.53    159739.53     699.7851     699.7851 
   53000   -36382.822   -36382.822   -36705.974   -36705.974    312.54085    312.54085    159884.24    159884.24   -416.71572   -416.71572 
Loop time of 51.5984 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.674 ns/day, 14.333 hours/ns, 19.380 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    | 50.94      | 50.94      | 50.94      |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044989   | 0.044989   | 0.044989   |   0.0 |  0.09
Output  | 0.00011763 | 0.00011763 | 0.00011763 |   0.0 |  0.00
Modify  | 0.55617    | 0.55617    | 0.55617    |   0.0 |  1.08
Other   |            | 0.05686    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5040.00 ave        5040 max        5040 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227192.0 ave      227192 max      227192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227192
Ave neighs/atom = 28.399000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.883459848976, Press = -0.63894525343866
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -36382.822   -36382.822   -36705.974   -36705.974    312.54085    312.54085    159884.24    159884.24   -416.71572   -416.71572 
   54000   -36386.422   -36386.422   -36706.673   -36706.673    309.73403    309.73403       159956       159956   -714.59356   -714.59356 
Loop time of 51.6218 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.674 ns/day, 14.339 hours/ns, 19.372 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    | 50.928     | 50.928     | 50.928     |   0.0 | 98.66
Neigh   | 0.037551   | 0.037551   | 0.037551   |   0.0 |  0.07
Comm    | 0.045228   | 0.045228   | 0.045228   |   0.0 |  0.09
Output  | 9.5786e-05 | 9.5786e-05 | 9.5786e-05 |   0.0 |  0.00
Modify  | 0.55473    | 0.55473    | 0.55473    |   0.0 |  1.07
Other   |            | 0.0565     |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5056.00 ave        5056 max        5056 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227234.0 ave      227234 max      227234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227234
Ave neighs/atom = 28.404250
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.905575106182, Press = -0.867384303400427
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -36386.422   -36386.422   -36706.673   -36706.673    309.73403    309.73403       159956       159956   -714.59356   -714.59356 
   55000    -36389.34    -36389.34   -36709.521   -36709.521    309.66745    309.66745    159911.36    159911.36   -497.99004   -497.99004 
Loop time of 51.7599 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.669 ns/day, 14.378 hours/ns, 19.320 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    | 50.987     | 50.987     | 50.987     |   0.0 | 98.51
Neigh   | 0.11304    | 0.11304    | 0.11304    |   0.0 |  0.22
Comm    | 0.047548   | 0.047548   | 0.047548   |   0.0 |  0.09
Output  | 0.00012321 | 0.00012321 | 0.00012321 |   0.0 |  0.00
Modify  | 0.55583    | 0.55583    | 0.55583    |   0.0 |  1.07
Other   |            | 0.05623    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5032.00 ave        5032 max        5032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227170.0 ave      227170 max      227170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227170
Ave neighs/atom = 28.396250
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.915218395862, Press = -0.974627952582281
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000    -36389.34    -36389.34   -36709.521   -36709.521    309.66745    309.66745    159911.36    159911.36   -497.99004   -497.99004 
   56000   -36372.105   -36372.105   -36703.243   -36703.243    320.26397    320.26397    159805.17    159805.17    91.846204    91.846204 
Loop time of 51.5971 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.675 ns/day, 14.333 hours/ns, 19.381 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    | 50.938     | 50.938     | 50.938     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045971   | 0.045971   | 0.045971   |   0.0 |  0.09
Output  | 0.00012378 | 0.00012378 | 0.00012378 |   0.0 |  0.00
Modify  | 0.55592    | 0.55592    | 0.55592    |   0.0 |  1.08
Other   |            | 0.05683    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5067.00 ave        5067 max        5067 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227216.0 ave      227216 max      227216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227216
Ave neighs/atom = 28.402000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.93407525903, Press = -0.893073761264153
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -36372.105   -36372.105   -36703.243   -36703.243    320.26397    320.26397    159805.17    159805.17    91.846204    91.846204 
   57000   -36388.135   -36388.135   -36711.936   -36711.936    313.16873    313.16873    159821.99    159821.99    19.852243    19.852243 
Loop time of 51.5951 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.675 ns/day, 14.332 hours/ns, 19.382 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.937     | 50.937     | 50.937     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044905   | 0.044905   | 0.044905   |   0.0 |  0.09
Output  | 0.00012474 | 0.00012474 | 0.00012474 |   0.0 |  0.00
Modify  | 0.55598    | 0.55598    | 0.55598    |   0.0 |  1.08
Other   |            | 0.05683    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5038.00 ave        5038 max        5038 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227330.0 ave      227330 max      227330 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227330
Ave neighs/atom = 28.416250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.946072502528, Press = -0.756064611183032
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -36388.135   -36388.135   -36711.936   -36711.936    313.16873    313.16873    159821.99    159821.99    19.852243    19.852243 
   58000   -36376.464   -36376.464   -36706.098   -36706.098    318.80929    318.80929    159720.11    159720.11    750.36082    750.36082 
Loop time of 51.6898 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.358 hours/ns, 19.346 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    | 50.992     | 50.992     | 50.992     |   0.0 | 98.65
Neigh   | 0.037678   | 0.037678   | 0.037678   |   0.0 |  0.07
Comm    | 0.047127   | 0.047127   | 0.047127   |   0.0 |  0.09
Output  | 0.00012194 | 0.00012194 | 0.00012194 |   0.0 |  0.00
Modify  | 0.5564     | 0.5564     | 0.5564     |   0.0 |  1.08
Other   |            | 0.05678    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5039.00 ave        5039 max        5039 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227218.0 ave      227218 max      227218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227218
Ave neighs/atom = 28.402250
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.958303784537, Press = -0.985372867562245
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -36376.464   -36376.464   -36706.098   -36706.098    318.80929    318.80929    159720.11    159720.11    750.36082    750.36082 
   59000   -36382.706   -36382.706   -36707.414   -36707.414    314.04522    314.04522    159885.82    159885.82   -325.87413   -325.87413 
Loop time of 51.6018 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.674 ns/day, 14.334 hours/ns, 19.379 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    | 50.943     | 50.943     | 50.943     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045523   | 0.045523   | 0.045523   |   0.0 |  0.09
Output  | 0.00011482 | 0.00011482 | 0.00011482 |   0.0 |  0.00
Modify  | 0.55588    | 0.55588    | 0.55588    |   0.0 |  1.08
Other   |            | 0.05683    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5063.00 ave        5063 max        5063 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227366.0 ave      227366 max      227366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227366
Ave neighs/atom = 28.420750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.967186926525, Press = -1.02361724269988
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -36382.706   -36382.706   -36707.414   -36707.414    314.04522    314.04522    159885.82    159885.82   -325.87413   -325.87413 
   60000   -36380.819   -36380.819   -36709.369   -36709.369    317.76158    317.76158    159862.87    159862.87   -329.49905   -329.49905 
Loop time of 51.7506 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.670 ns/day, 14.375 hours/ns, 19.323 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    | 50.978     | 50.978     | 50.978     |   0.0 | 98.51
Neigh   | 0.11267    | 0.11267    | 0.11267    |   0.0 |  0.22
Comm    | 0.047875   | 0.047875   | 0.047875   |   0.0 |  0.09
Output  | 0.00010871 | 0.00010871 | 0.00010871 |   0.0 |  0.00
Modify  | 0.55576    | 0.55576    | 0.55576    |   0.0 |  1.07
Other   |            | 0.05618    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5048.00 ave        5048 max        5048 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227238.0 ave      227238 max      227238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227238
Ave neighs/atom = 28.404750
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.005610750715, Press = -0.551518012071019
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -36380.819   -36380.819   -36709.369   -36709.369    317.76158    317.76158    159862.87    159862.87   -329.49905   -329.49905 
   61000   -36384.246   -36384.246   -36706.495   -36706.495    311.66674    311.66674    160039.25    160039.25    -1278.073    -1278.073 
Loop time of 51.8262 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.396 hours/ns, 19.295 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    | 50.979     | 50.979     | 50.979     |   0.0 | 98.36
Neigh   | 0.18803    | 0.18803    | 0.18803    |   0.0 |  0.36
Comm    | 0.048214   | 0.048214   | 0.048214   |   0.0 |  0.09
Output  | 0.00010746 | 0.00010746 | 0.00010746 |   0.0 |  0.00
Modify  | 0.5554     | 0.5554     | 0.5554     |   0.0 |  1.07
Other   |            | 0.05584    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5043.00 ave        5043 max        5043 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227122.0 ave      227122 max      227122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227122
Ave neighs/atom = 28.390250
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.014950135561, Press = -0.884870660568383
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -36384.246   -36384.246   -36706.495   -36706.495    311.66674    311.66674    160039.25    160039.25    -1278.073    -1278.073 
   62000   -36386.626   -36386.626   -36711.685   -36711.685    314.38459    314.38459    159708.84    159708.84    507.14993    507.14993 
Loop time of 51.8129 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.668 ns/day, 14.392 hours/ns, 19.300 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    | 50.966     | 50.966     | 50.966     |   0.0 | 98.37
Neigh   | 0.18801    | 0.18801    | 0.18801    |   0.0 |  0.36
Comm    | 0.048258   | 0.048258   | 0.048258   |   0.0 |  0.09
Output  | 8.2587e-05 | 8.2587e-05 | 8.2587e-05 |   0.0 |  0.00
Modify  | 0.55525    | 0.55525    | 0.55525    |   0.0 |  1.07
Other   |            | 0.05551    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5071.00 ave        5071 max        5071 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227416.0 ave      227416 max      227416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227416
Ave neighs/atom = 28.427000
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.044671943155, Press = -1.47710125708593
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -36386.626   -36386.626   -36711.685   -36711.685    314.38459    314.38459    159708.84    159708.84    507.14993    507.14993 
   63000   -36392.811   -36392.811   -36714.796   -36714.796     311.4111     311.4111    159839.73    159839.73    112.32712    112.32712 
Loop time of 51.6986 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.671 ns/day, 14.361 hours/ns, 19.343 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    | 50.964     | 50.964     | 50.964     |   0.0 | 98.58
Neigh   | 0.075249   | 0.075249   | 0.075249   |   0.0 |  0.15
Comm    | 0.04705    | 0.04705    | 0.04705    |   0.0 |  0.09
Output  | 0.00012514 | 0.00012514 | 0.00012514 |   0.0 |  0.00
Modify  | 0.55558    | 0.55558    | 0.55558    |   0.0 |  1.07
Other   |            | 0.05624    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5048.00 ave        5048 max        5048 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227250.0 ave      227250 max      227250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227250
Ave neighs/atom = 28.406250
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.033737580091, Press = -0.867933269344231
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -36392.811   -36392.811   -36714.796   -36714.796     311.4111     311.4111    159839.73    159839.73    112.32712    112.32712 
   64000   -36387.407   -36387.407   -36710.181   -36710.181    312.17546    312.17546    159750.97    159750.97    218.12919    218.12919 
Loop time of 51.8005 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.668 ns/day, 14.389 hours/ns, 19.305 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.99      | 50.99      | 50.99      |   0.0 | 98.44
Neigh   | 0.15029    | 0.15029    | 0.15029    |   0.0 |  0.29
Comm    | 0.048067   | 0.048067   | 0.048067   |   0.0 |  0.09
Output  | 0.00010915 | 0.00010915 | 0.00010915 |   0.0 |  0.00
Modify  | 0.55569    | 0.55569    | 0.55569    |   0.0 |  1.07
Other   |            | 0.05591    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5052.00 ave        5052 max        5052 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227298.0 ave      227298 max      227298 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227298
Ave neighs/atom = 28.412250
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.039499233659, Press = -0.711786439821616
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -36387.407   -36387.407   -36710.181   -36710.181    312.17546    312.17546    159750.97    159750.97    218.12919    218.12919 
   65000   -36380.152   -36380.152   -36704.386   -36704.386     313.5864     313.5864    159847.75    159847.75   -287.65876   -287.65876 
Loop time of 51.7009 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.671 ns/day, 14.361 hours/ns, 19.342 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    | 50.966     | 50.966     | 50.966     |   0.0 | 98.58
Neigh   | 0.075108   | 0.075108   | 0.075108   |   0.0 |  0.15
Comm    | 0.047467   | 0.047467   | 0.047467   |   0.0 |  0.09
Output  | 0.00010807 | 0.00010807 | 0.00010807 |   0.0 |  0.00
Modify  | 0.55588    | 0.55588    | 0.55588    |   0.0 |  1.08
Other   |            | 0.05652    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5059.00 ave        5059 max        5059 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227112.0 ave      227112 max      227112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227112
Ave neighs/atom = 28.389000
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.050991087558, Press = -0.893398538075138
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -36380.152   -36380.152   -36704.386   -36704.386     313.5864     313.5864    159847.75    159847.75   -287.65876   -287.65876 
   66000   -36387.826   -36387.826   -36715.098   -36715.098    316.52532    316.52532    159758.31    159758.31    84.204943    84.204943 
Loop time of 51.765 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.669 ns/day, 14.379 hours/ns, 19.318 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    | 50.992     | 50.992     | 50.992     |   0.0 | 98.51
Neigh   | 0.11259    | 0.11259    | 0.11259    |   0.0 |  0.22
Comm    | 0.047753   | 0.047753   | 0.047753   |   0.0 |  0.09
Output  | 0.00010417 | 0.00010417 | 0.00010417 |   0.0 |  0.00
Modify  | 0.55587    | 0.55587    | 0.55587    |   0.0 |  1.07
Other   |            | 0.05636    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5037.00 ave        5037 max        5037 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227238.0 ave      227238 max      227238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227238
Ave neighs/atom = 28.404750
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.0667823565, Press = -0.867785761636957
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -36387.826   -36387.826   -36715.098   -36715.098    316.52532    316.52532    159758.31    159758.31    84.204943    84.204943 
   67000   -36376.112   -36376.112   -36705.215   -36705.215    318.29639    318.29639    159819.94    159819.94    97.887539    97.887539 
Loop time of 51.7628 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.669 ns/day, 14.379 hours/ns, 19.319 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.99      | 50.99      | 50.99      |   0.0 | 98.51
Neigh   | 0.11258    | 0.11258    | 0.11258    |   0.0 |  0.22
Comm    | 0.047757   | 0.047757   | 0.047757   |   0.0 |  0.09
Output  | 0.00011163 | 0.00011163 | 0.00011163 |   0.0 |  0.00
Modify  | 0.55577    | 0.55577    | 0.55577    |   0.0 |  1.07
Other   |            | 0.05635    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5050.00 ave        5050 max        5050 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227340.0 ave      227340 max      227340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227340
Ave neighs/atom = 28.417500
Neighbor list builds = 3
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.088994953962, Press = -0.84220063870726
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -36376.112   -36376.112   -36705.215   -36705.215    318.29639    318.29639    159819.94    159819.94    97.887539    97.887539 
   68000   -36388.209   -36388.209   -36707.792   -36707.792    309.08923    309.08923    159852.99    159852.99   -98.914878   -98.914878 
Loop time of 51.7091 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.671 ns/day, 14.364 hours/ns, 19.339 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    | 50.975     | 50.975     | 50.975     |   0.0 | 98.58
Neigh   | 0.074993   | 0.074993   | 0.074993   |   0.0 |  0.15
Comm    | 0.047094   | 0.047094   | 0.047094   |   0.0 |  0.09
Output  | 0.00010338 | 0.00010338 | 0.00010338 |   0.0 |  0.00
Modify  | 0.55533    | 0.55533    | 0.55533    |   0.0 |  1.07
Other   |            | 0.0566     |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5067.00 ave        5067 max        5067 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227198.0 ave      227198 max      227198 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227198
Ave neighs/atom = 28.399750
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.094676891153, Press = -0.474117518958916
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -36388.209   -36388.209   -36707.792   -36707.792    309.08923    309.08923    159852.99    159852.99   -98.914878   -98.914878 
   69000   -36383.871   -36383.871   -36707.343   -36707.343     312.8506     312.8506    159708.96    159708.96    542.11548    542.11548 
Loop time of 51.6737 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.354 hours/ns, 19.352 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    | 50.977     | 50.977     | 50.977     |   0.0 | 98.65
Neigh   | 0.03743    | 0.03743    | 0.03743    |   0.0 |  0.07
Comm    | 0.047121   | 0.047121   | 0.047121   |   0.0 |  0.09
Output  | 8.633e-05  | 8.633e-05  | 8.633e-05  |   0.0 |  0.00
Modify  | 0.5553     | 0.5553     | 0.5553     |   0.0 |  1.07
Other   |            | 0.05639    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5052.00 ave        5052 max        5052 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227508.0 ave      227508 max      227508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227508
Ave neighs/atom = 28.438500
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.084088275347, Press = -0.629274980566914
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -36383.871   -36383.871   -36707.343   -36707.343     312.8506     312.8506    159708.96    159708.96    542.11548    542.11548 
   70000   -36378.447   -36378.447   -36706.565   -36706.565    317.34283    317.34283    159916.28    159916.28   -627.20766   -627.20766 
Loop time of 51.6524 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.673 ns/day, 14.348 hours/ns, 19.360 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    | 50.955     | 50.955     | 50.955     |   0.0 | 98.65
Neigh   | 0.037856   | 0.037856   | 0.037856   |   0.0 |  0.07
Comm    | 0.047265   | 0.047265   | 0.047265   |   0.0 |  0.09
Output  | 0.00010848 | 0.00010848 | 0.00010848 |   0.0 |  0.00
Modify  | 0.55542    | 0.55542    | 0.55542    |   0.0 |  1.08
Other   |            | 0.05636    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5043.00 ave        5043 max        5043 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227244.0 ave      227244 max      227244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227244
Ave neighs/atom = 28.405500
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.083392381821, Press = -0.810611221159844
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -36378.447   -36378.447   -36706.565   -36706.565    317.34283    317.34283    159916.28    159916.28   -627.20766   -627.20766 
   71000   -36387.347   -36387.347    -36707.87    -36707.87    309.99792    309.99792    159800.23    159800.23    110.24802    110.24802 
Loop time of 51.8174 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.667 ns/day, 14.394 hours/ns, 19.299 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    | 50.969     | 50.969     | 50.969     |   0.0 | 98.36
Neigh   | 0.18792    | 0.18792    | 0.18792    |   0.0 |  0.36
Comm    | 0.048585   | 0.048585   | 0.048585   |   0.0 |  0.09
Output  | 0.00011228 | 0.00011228 | 0.00011228 |   0.0 |  0.00
Modify  | 0.55584    | 0.55584    | 0.55584    |   0.0 |  1.07
Other   |            | 0.05585    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5032.00 ave        5032 max        5032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227138.0 ave      227138 max      227138 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227138
Ave neighs/atom = 28.392250
Neighbor list builds = 5
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.085513953169, Press = -0.733390113908133
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -36387.347   -36387.347    -36707.87    -36707.87    309.99792    309.99792    159800.23    159800.23    110.24802    110.24802 
   72000   -36381.718   -36381.718   -36703.632   -36703.632    311.34337    311.34337     159844.7     159844.7   -22.408538   -22.408538 
Loop time of 51.6111 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.674 ns/day, 14.336 hours/ns, 19.376 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    | 50.954     | 50.954     | 50.954     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044973   | 0.044973   | 0.044973   |   0.0 |  0.09
Output  | 0.00010649 | 0.00010649 | 0.00010649 |   0.0 |  0.00
Modify  | 0.55576    | 0.55576    | 0.55576    |   0.0 |  1.08
Other   |            | 0.05664    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5052.00 ave        5052 max        5052 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227248.0 ave      227248 max      227248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227248
Ave neighs/atom = 28.406000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.079353705028, Press = -0.991992005312222
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -36381.718   -36381.718   -36703.632   -36703.632    311.34337    311.34337     159844.7     159844.7   -22.408538   -22.408538 
   73000   -36392.883   -36392.883   -36713.523   -36713.523    310.11044    310.11044    160000.63    160000.63   -745.06117   -745.06117 
Loop time of 51.601 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.674 ns/day, 14.334 hours/ns, 19.379 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    | 50.944     | 50.944     | 50.944     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044927   | 0.044927   | 0.044927   |   0.0 |  0.09
Output  | 0.00010202 | 0.00010202 | 0.00010202 |   0.0 |  0.00
Modify  | 0.55582    | 0.55582    | 0.55582    |   0.0 |  1.08
Other   |            | 0.05657    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5054.00 ave        5054 max        5054 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227286.0 ave      227286 max      227286 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227286
Ave neighs/atom = 28.410750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.060922135468, Press = -0.782030094265819
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -36392.883   -36392.883   -36713.523   -36713.523    310.11044    310.11044    160000.63    160000.63   -745.06117   -745.06117 
   74000   -36380.186   -36380.186   -36706.498   -36706.498    315.59676    315.59676    160043.14    160043.14   -1327.8359   -1327.8359 
Loop time of 51.5575 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.322 hours/ns, 19.396 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    | 50.9       | 50.9       | 50.9       |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045151   | 0.045151   | 0.045151   |   0.0 |  0.09
Output  | 0.00010299 | 0.00010299 | 0.00010299 |   0.0 |  0.00
Modify  | 0.55588    | 0.55588    | 0.55588    |   0.0 |  1.08
Other   |            | 0.05678    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5049.00 ave        5049 max        5049 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      226928.0 ave      226928 max      226928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 226928
Ave neighs/atom = 28.366000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.048361169284, Press = -0.80231007210512
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -36380.186   -36380.186   -36706.498   -36706.498    315.59676    315.59676    160043.14    160043.14   -1327.8359   -1327.8359 
   75000   -36382.966   -36382.966   -36709.273   -36709.273    315.59196    315.59196    159947.51    159947.51   -818.37293   -818.37293 
Loop time of 51.6304 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.673 ns/day, 14.342 hours/ns, 19.368 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    | 50.936     | 50.936     | 50.936     |   0.0 | 98.65
Neigh   | 0.037641   | 0.037641   | 0.037641   |   0.0 |  0.07
Comm    | 0.045422   | 0.045422   | 0.045422   |   0.0 |  0.09
Output  | 0.00010284 | 0.00010284 | 0.00010284 |   0.0 |  0.00
Modify  | 0.55514    | 0.55514    | 0.55514    |   0.0 |  1.08
Other   |            | 0.05652    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5056.00 ave        5056 max        5056 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227292.0 ave      227292 max      227292 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227292
Ave neighs/atom = 28.411500
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.055401928322, Press = -0.888087441236971
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -36382.966   -36382.966   -36709.273   -36709.273    315.59196    315.59196    159947.51    159947.51   -818.37293   -818.37293 
   76000   -36385.578   -36385.578   -36709.469   -36709.469    313.25535    313.25535    159827.63    159827.63    9.0422164    9.0422164 
Loop time of 51.5475 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.319 hours/ns, 19.400 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    | 50.89      | 50.89      | 50.89      |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045091   | 0.045091   | 0.045091   |   0.0 |  0.09
Output  | 8.0022e-05 | 8.0022e-05 | 8.0022e-05 |   0.0 |  0.00
Modify  | 0.55543    | 0.55543    | 0.55543    |   0.0 |  1.08
Other   |            | 0.05671    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5053.00 ave        5053 max        5053 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227218.0 ave      227218 max      227218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227218
Ave neighs/atom = 28.402250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.063696240671, Press = -0.639066963993191
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -36385.578   -36385.578   -36709.469   -36709.469    313.25535    313.25535    159827.63    159827.63    9.0422164    9.0422164 
   77000   -36375.772   -36375.772   -36704.533   -36704.533    317.96594    317.96594     159898.9     159898.9    -357.1974    -357.1974 
Loop time of 51.5489 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.319 hours/ns, 19.399 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    | 50.892     | 50.892     | 50.892     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045017   | 0.045017   | 0.045017   |   0.0 |  0.09
Output  | 0.00010601 | 0.00010601 | 0.00010601 |   0.0 |  0.00
Modify  | 0.55541    | 0.55541    | 0.55541    |   0.0 |  1.08
Other   |            | 0.05679    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5054.00 ave        5054 max        5054 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227100.0 ave      227100 max      227100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227100
Ave neighs/atom = 28.387500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.083274809243, Press = -0.661317686039964
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -36375.772   -36375.772   -36704.533   -36704.533    317.96594    317.96594     159898.9     159898.9    -357.1974    -357.1974 
   78000   -36384.064   -36384.064   -36709.979   -36709.979    315.21351    315.21351    159810.51    159810.51    202.70819    202.70819 
Loop time of 51.5585 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.322 hours/ns, 19.395 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    | 50.9       | 50.9       | 50.9       |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045395   | 0.045395   | 0.045395   |   0.0 |  0.09
Output  | 0.0001041  | 0.0001041  | 0.0001041  |   0.0 |  0.00
Modify  | 0.55594    | 0.55594    | 0.55594    |   0.0 |  1.08
Other   |            | 0.05684    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5061.00 ave        5061 max        5061 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227122.0 ave      227122 max      227122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227122
Ave neighs/atom = 28.390250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.091462328956, Press = -0.337963494392178
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -36384.064   -36384.064   -36709.979   -36709.979    315.21351    315.21351    159810.51    159810.51    202.70819    202.70819 
   79000   -36386.308   -36386.308   -36706.223   -36706.223    309.41041    309.41041    159832.21    159832.21   -54.115144   -54.115144 
Loop time of 51.7043 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.671 ns/day, 14.362 hours/ns, 19.341 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    | 50.97      | 50.97      | 50.97      |   0.0 | 98.58
Neigh   | 0.075194   | 0.075194   | 0.075194   |   0.0 |  0.15
Comm    | 0.047224   | 0.047224   | 0.047224   |   0.0 |  0.09
Output  | 0.00010877 | 0.00010877 | 0.00010877 |   0.0 |  0.00
Modify  | 0.55554    | 0.55554    | 0.55554    |   0.0 |  1.07
Other   |            | 0.05633    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5047.00 ave        5047 max        5047 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227126.0 ave      227126 max      227126 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227126
Ave neighs/atom = 28.390750
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.100726662828, Press = -0.400549954933772
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -36386.308   -36386.308   -36706.223   -36706.223    309.41041    309.41041    159832.21    159832.21   -54.115144   -54.115144 
   80000   -36384.638   -36384.638   -36709.398   -36709.398    314.09604    314.09604    159839.41    159839.41   -90.134078   -90.134078 
Loop time of 51.639 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.673 ns/day, 14.344 hours/ns, 19.365 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    | 50.942     | 50.942     | 50.942     |   0.0 | 98.65
Neigh   | 0.037578   | 0.037578   | 0.037578   |   0.0 |  0.07
Comm    | 0.047499   | 0.047499   | 0.047499   |   0.0 |  0.09
Output  | 0.0001047  | 0.0001047  | 0.0001047  |   0.0 |  0.00
Modify  | 0.5554     | 0.5554     | 0.5554     |   0.0 |  1.08
Other   |            | 0.05659    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5069.00 ave        5069 max        5069 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227134.0 ave      227134 max      227134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227134
Ave neighs/atom = 28.391750
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.09905519402, Press = -0.758290014480685
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -36384.638   -36384.638   -36709.398   -36709.398    314.09604    314.09604    159839.41    159839.41   -90.134078   -90.134078 
   81000   -36379.352   -36379.352   -36706.514   -36706.514    316.41952    316.41952    159858.04    159858.04   -84.825434   -84.825434 
Loop time of 51.936 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.664 ns/day, 14.427 hours/ns, 19.254 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    | 51.26      | 51.26      | 51.26      |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04617    | 0.04617    | 0.04617    |   0.0 |  0.09
Output  | 0.00011815 | 0.00011815 | 0.00011815 |   0.0 |  0.00
Modify  | 0.56646    | 0.56646    | 0.56646    |   0.0 |  1.09
Other   |            | 0.06317    |            |       |  0.12

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5054.00 ave        5054 max        5054 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227254.0 ave      227254 max      227254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227254
Ave neighs/atom = 28.406750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.090939483443, Press = -0.943313840798732
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -36379.352   -36379.352   -36706.514   -36706.514    316.41952    316.41952    159858.04    159858.04   -84.825434   -84.825434 
   82000    -36384.14    -36384.14   -36707.223   -36707.223    312.47343    312.47343    160011.81    160011.81   -1110.7934   -1110.7934 
Loop time of 51.5561 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.321 hours/ns, 19.396 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    | 50.901     | 50.901     | 50.901     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044537   | 0.044537   | 0.044537   |   0.0 |  0.09
Output  | 0.00010647 | 0.00010647 | 0.00010647 |   0.0 |  0.00
Modify  | 0.55424    | 0.55424    | 0.55424    |   0.0 |  1.08
Other   |            | 0.05668    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5028.00 ave        5028 max        5028 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227106.0 ave      227106 max      227106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227106
Ave neighs/atom = 28.388250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.112074058849, Press = -0.690249858962825
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000    -36384.14    -36384.14   -36707.223   -36707.223    312.47343    312.47343    160011.81    160011.81   -1110.7934   -1110.7934 
   83000   -36381.653   -36381.653   -36704.681   -36704.681    312.42092    312.42092    159887.71    159887.71   -426.30898   -426.30898 
Loop time of 51.5417 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.317 hours/ns, 19.402 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    | 50.885     | 50.885     | 50.885     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044694   | 0.044694   | 0.044694   |   0.0 |  0.09
Output  | 8.1442e-05 | 8.1442e-05 | 8.1442e-05 |   0.0 |  0.00
Modify  | 0.55537    | 0.55537    | 0.55537    |   0.0 |  1.08
Other   |            | 0.05664    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5036.00 ave        5036 max        5036 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227100.0 ave      227100 max      227100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227100
Ave neighs/atom = 28.387500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.117582670897, Press = -1.00925318783483
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -36381.653   -36381.653   -36704.681   -36704.681    312.42092    312.42092    159887.71    159887.71   -426.30898   -426.30898 
   84000   -36386.926   -36386.926    -36710.58    -36710.58    313.02624    313.02624    159875.13    159875.13   -210.07695   -210.07695 
Loop time of 51.6626 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.351 hours/ns, 19.356 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    | 50.928     | 50.928     | 50.928     |   0.0 | 98.58
Neigh   | 0.075271   | 0.075271   | 0.075271   |   0.0 |  0.15
Comm    | 0.0472     | 0.0472     | 0.0472     |   0.0 |  0.09
Output  | 0.00010955 | 0.00010955 | 0.00010955 |   0.0 |  0.00
Modify  | 0.55545    | 0.55545    | 0.55545    |   0.0 |  1.08
Other   |            | 0.05627    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5055.00 ave        5055 max        5055 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227028.0 ave      227028 max      227028 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227028
Ave neighs/atom = 28.378500
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.136946305551, Press = -0.358950991127407
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -36386.926   -36386.926    -36710.58    -36710.58    313.02624    313.02624    159875.13    159875.13   -210.07695   -210.07695 
   85000   -36387.995   -36387.995   -36711.355   -36711.355    312.74186    312.74186    159868.93    159868.93   -41.914385   -41.914385 
Loop time of 51.5474 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.319 hours/ns, 19.400 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    | 50.89      | 50.89      | 50.89      |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045025   | 0.045025   | 0.045025   |   0.0 |  0.09
Output  | 0.00010818 | 0.00010818 | 0.00010818 |   0.0 |  0.00
Modify  | 0.55558    | 0.55558    | 0.55558    |   0.0 |  1.08
Other   |            | 0.05675    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5040.00 ave        5040 max        5040 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227038.0 ave      227038 max      227038 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227038
Ave neighs/atom = 28.379750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.131205922084, Press = -0.240204578889129
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -36387.995   -36387.995   -36711.355   -36711.355    312.74186    312.74186    159868.93    159868.93   -41.914385   -41.914385 
   86000   -36382.326   -36382.326   -36710.855   -36710.855    317.74134    317.74134    159897.13    159897.13   -380.62297   -380.62297 
Loop time of 51.5286 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.677 ns/day, 14.314 hours/ns, 19.407 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    | 50.871     | 50.871     | 50.871     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04534    | 0.04534    | 0.04534    |   0.0 |  0.09
Output  | 0.00010607 | 0.00010607 | 0.00010607 |   0.0 |  0.00
Modify  | 0.55539    | 0.55539    | 0.55539    |   0.0 |  1.08
Other   |            | 0.05668    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5045.00 ave        5045 max        5045 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      226930.0 ave      226930 max      226930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 226930
Ave neighs/atom = 28.366250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.124757462183, Press = -0.579777472268385
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -36382.326   -36382.326   -36710.855   -36710.855    317.74134    317.74134    159897.13    159897.13   -380.62297   -380.62297 
   87000   -36379.513   -36379.513    -36706.28    -36706.28    316.03694    316.03694    159845.49    159845.49   -121.12286   -121.12286 
Loop time of 51.5551 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.321 hours/ns, 19.397 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    | 50.898     | 50.898     | 50.898     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044867   | 0.044867   | 0.044867   |   0.0 |  0.09
Output  | 0.00010317 | 0.00010317 | 0.00010317 |   0.0 |  0.00
Modify  | 0.55557    | 0.55557    | 0.55557    |   0.0 |  1.08
Other   |            | 0.05672    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5045.00 ave        5045 max        5045 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227130.0 ave      227130 max      227130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227130
Ave neighs/atom = 28.391250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.131679781648, Press = -1.00324486807743
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -36379.513   -36379.513    -36706.28    -36706.28    316.03694    316.03694    159845.49    159845.49   -121.12286   -121.12286 
   88000   -36387.779   -36387.779   -36710.963   -36710.963    312.57164    312.57164    159799.83    159799.83    127.71894    127.71894 
Loop time of 51.6776 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.355 hours/ns, 19.351 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    | 50.943     | 50.943     | 50.943     |   0.0 | 98.58
Neigh   | 0.074948   | 0.074948   | 0.074948   |   0.0 |  0.15
Comm    | 0.047466   | 0.047466   | 0.047466   |   0.0 |  0.09
Output  | 0.00010605 | 0.00010605 | 0.00010605 |   0.0 |  0.00
Modify  | 0.5556     | 0.5556     | 0.5556     |   0.0 |  1.08
Other   |            | 0.05634    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5056.00 ave        5056 max        5056 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227046.0 ave      227046 max      227046 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227046
Ave neighs/atom = 28.380750
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.134205247651, Press = -0.491276184331085
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -36387.779   -36387.779   -36710.963   -36710.963    312.57164    312.57164    159799.83    159799.83    127.71894    127.71894 
   89000   -36382.582   -36382.582   -36709.937   -36709.937    316.60573    316.60573    160008.27    160008.27   -990.32355   -990.32355 
Loop time of 51.5492 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.319 hours/ns, 19.399 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    | 50.894     | 50.894     | 50.894     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044869   | 0.044869   | 0.044869   |   0.0 |  0.09
Output  | 0.0001035  | 0.0001035  | 0.0001035  |   0.0 |  0.00
Modify  | 0.55374    | 0.55374    | 0.55374    |   0.0 |  1.07
Other   |            | 0.05658    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5048.00 ave        5048 max        5048 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227154.0 ave      227154 max      227154 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227154
Ave neighs/atom = 28.394250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.116707588449, Press = -0.576339588886501
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -36382.582   -36382.582   -36709.937   -36709.937    316.60573    316.60573    160008.27    160008.27   -990.32355   -990.32355 
   90000   -36391.786   -36391.786   -36711.949   -36711.949    309.64972    309.64972    159852.51    159852.51   -106.40743   -106.40743 
Loop time of 51.5378 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.316 hours/ns, 19.403 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    | 50.881     | 50.881     | 50.881     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045033   | 0.045033   | 0.045033   |   0.0 |  0.09
Output  | 0.00010272 | 0.00010272 | 0.00010272 |   0.0 |  0.00
Modify  | 0.5554     | 0.5554     | 0.5554     |   0.0 |  1.08
Other   |            | 0.05668    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5045.00 ave        5045 max        5045 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227098.0 ave      227098 max      227098 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227098
Ave neighs/atom = 28.387250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.110819663983, Press = -0.690017704689097
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -36391.786   -36391.786   -36711.949   -36711.949    309.64972    309.64972    159852.51    159852.51   -106.40743   -106.40743 
   91000   -36383.895   -36383.895   -36710.262   -36710.262    315.65005    315.65005       159676       159676    1092.9059    1092.9059 
Loop time of 51.5467 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.319 hours/ns, 19.400 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    | 50.89      | 50.89      | 50.89      |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044959   | 0.044959   | 0.044959   |   0.0 |  0.09
Output  | 7.9765e-05 | 7.9765e-05 | 7.9765e-05 |   0.0 |  0.00
Modify  | 0.55531    | 0.55531    | 0.55531    |   0.0 |  1.08
Other   |            | 0.05667    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5047.00 ave        5047 max        5047 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227116.0 ave      227116 max      227116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227116
Ave neighs/atom = 28.389500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.118819975901, Press = -0.530581531012675
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -36383.895   -36383.895   -36710.262   -36710.262    315.65005    315.65005       159676       159676    1092.9059    1092.9059 
   92000   -36389.207   -36389.207   -36711.949   -36711.949    312.14472    312.14472    159896.64    159896.64   -690.16615   -690.16615 
Loop time of 51.7607 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.669 ns/day, 14.378 hours/ns, 19.320 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    | 50.951     | 50.951     | 50.951     |   0.0 | 98.44
Neigh   | 0.15014    | 0.15014    | 0.15014    |   0.0 |  0.29
Comm    | 0.04795    | 0.04795    | 0.04795    |   0.0 |  0.09
Output  | 0.00010876 | 0.00010876 | 0.00010876 |   0.0 |  0.00
Modify  | 0.55559    | 0.55559    | 0.55559    |   0.0 |  1.07
Other   |            | 0.05597    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5058.00 ave        5058 max        5058 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227076.0 ave      227076 max      227076 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227076
Ave neighs/atom = 28.384500
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.134236856851, Press = -0.621517981751188
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -36389.207   -36389.207   -36711.949   -36711.949    312.14472    312.14472    159896.64    159896.64   -690.16615   -690.16615 
   93000   -36384.201   -36384.201   -36705.581   -36705.581    310.82739    310.82739    159920.25    159920.25   -668.12726   -668.12726 
Loop time of 51.6481 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.673 ns/day, 14.347 hours/ns, 19.362 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    | 50.951     | 50.951     | 50.951     |   0.0 | 98.65
Neigh   | 0.037507   | 0.037507   | 0.037507   |   0.0 |  0.07
Comm    | 0.047406   | 0.047406   | 0.047406   |   0.0 |  0.09
Output  | 0.00010911 | 0.00010911 | 0.00010911 |   0.0 |  0.00
Modify  | 0.55572    | 0.55572    | 0.55572    |   0.0 |  1.08
Other   |            | 0.05648    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5055.00 ave        5055 max        5055 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227262.0 ave      227262 max      227262 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227262
Ave neighs/atom = 28.407750
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.13634606845, Press = -0.476037727326894
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -36384.201   -36384.201   -36705.581   -36705.581    310.82739    310.82739    159920.25    159920.25   -668.12726   -668.12726 
   94000   -36385.596   -36385.596   -36708.651   -36708.651    312.44777    312.44777    159822.86    159822.86   -83.414488   -83.414488 
Loop time of 51.5607 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.676 ns/day, 14.322 hours/ns, 19.395 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    | 50.903     | 50.903     | 50.903     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045319   | 0.045319   | 0.045319   |   0.0 |  0.09
Output  | 0.0001067  | 0.0001067  | 0.0001067  |   0.0 |  0.00
Modify  | 0.55558    | 0.55558    | 0.55558    |   0.0 |  1.08
Other   |            | 0.05677    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5057.00 ave        5057 max        5057 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227232.0 ave      227232 max      227232 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227232
Ave neighs/atom = 28.404000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.134240136795, Press = -0.51126195398427
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -36385.596   -36385.596   -36708.651   -36708.651    312.44777    312.44777    159822.86    159822.86   -83.414488   -83.414488 
   95000   -36388.965   -36388.965   -36710.877   -36710.877    311.34175    311.34175    159785.05    159785.05    208.99475    208.99475 
Loop time of 51.6811 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.356 hours/ns, 19.349 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    | 50.947     | 50.947     | 50.947     |   0.0 | 98.58
Neigh   | 0.074929   | 0.074929   | 0.074929   |   0.0 |  0.14
Comm    | 0.047361   | 0.047361   | 0.047361   |   0.0 |  0.09
Output  | 0.00010456 | 0.00010456 | 0.00010456 |   0.0 |  0.00
Modify  | 0.55567    | 0.55567    | 0.55567    |   0.0 |  1.08
Other   |            | 0.05634    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5054.00 ave        5054 max        5054 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227280.0 ave      227280 max      227280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227280
Ave neighs/atom = 28.410000
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.137404153772, Press = -0.550482595764343
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.2
  ghost atom cutoff = 5.2
  binsize = 2.6, bins = 21 21 21
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.2
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.609 | 4.609 | 4.609 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -36388.965   -36388.965   -36710.877   -36710.877    311.34175    311.34175    159785.05    159785.05    208.99475    208.99475 
   96000   -36383.893   -36383.893    -36708.69    -36708.69    314.13182    314.13182     159749.2     159749.2     489.9861     489.9861 
Loop time of 51.6879 on 1 procs for 1000 steps with 8000 atoms

Performance: 1.672 ns/day, 14.358 hours/ns, 19.347 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    | 50.956     | 50.956     | 50.956     |   0.0 | 98.58
Neigh   | 0.075257   | 0.075257   | 0.075257   |   0.0 |  0.15
Comm    | 0.046997   | 0.046997   | 0.046997   |   0.0 |  0.09
Output  | 0.0001045  | 0.0001045  | 0.0001045  |   0.0 |  0.00
Modify  | 0.55351    | 0.55351    | 0.55351    |   0.0 |  1.07
Other   |            | 0.05616    |            |       |  0.11

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5054.00 ave        5054 max        5054 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      227336.0 ave      227336 max      227336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 227336
Ave neighs/atom = 28.417000
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${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
159834.159812004

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0