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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.159998923540115*${_u_distance}
variable latticeconst_converted equal 3.159998923540115*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  3.15999892354011
Lattice spacing in x,y,z = 3.1599989 3.1599989 3.1599989
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 (31.599989 31.599989 31.599989)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (31.599989 31.599989 31.599989)
  create_atoms CPU = 0.002 seconds

variable mass_converted equal 183.84*${_u_mass}
variable mass_converted equal 183.84*1

kim_interactions W

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

kim interactions W
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_Olsson_2009_W__MO_670013535154_000
pair_coeff * * W
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 183.84

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 31554.4637527174    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 31554.4637527174/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 31554.4637527174/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 31554.4637527174/(1*1*${_u_distance})
variable      V0_metal equal 31554.4637527174/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 31554.4637527174*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 31554.4637527174 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 293.15*${_u_temperature}
variable temp_converted equal 293.15*1
variable Tdamp_converted equal 0.1*${_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 293.15 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 293.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 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  "293.15 - 0.2"
variable      T_up  equal  "293.15 + 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_670013535154_000#item-citation

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -17724.262   -17724.262    -17800.01    -17800.01       293.15       293.15    31554.464    31554.464    2564.0771    2564.0771 
    1000   -17644.862   -17644.862    -17721.95    -17721.95    298.33948    298.33948    31782.196    31782.196   -1010.5612   -1010.5612 
Loop time of 11.0132 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.845 ns/day, 3.059 hours/ns, 90.800 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.591     | 10.591     | 10.591     |   0.0 | 96.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069525   | 0.069525   | 0.069525   |   0.0 |  0.63
Output  | 0.00035338 | 0.00035338 | 0.00035338 |   0.0 |  0.00
Modify  | 0.30502    | 0.30502    | 0.30502    |   0.0 |  2.77
Other   |            | 0.04695    |            |       |  0.43

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128000.0 ave      128000 max      128000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128000
Ave neighs/atom = 64.000000
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 = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -17644.862   -17644.862    -17721.95    -17721.95    298.33948    298.33948    31782.196    31782.196   -1010.5612   -1010.5612 
    2000   -17646.111   -17646.111   -17721.072   -17721.072    290.10636    290.10636    31769.215    31769.215   -81.300588   -81.300588 
Loop time of 11.7051 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.381 ns/day, 3.251 hours/ns, 85.433 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.31      | 11.31      | 11.31      |   0.0 | 96.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06767    | 0.06767    | 0.06767    |   0.0 |  0.58
Output  | 0.00019098 | 0.00019098 | 0.00019098 |   0.0 |  0.00
Modify  | 0.28796    | 0.28796    | 0.28796    |   0.0 |  2.46
Other   |            | 0.03968    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128190.0 ave      128190 max      128190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128190
Ave neighs/atom = 64.095000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -17646.111   -17646.111   -17721.072   -17721.072    290.10636    290.10636    31769.215    31769.215   -81.300588   -81.300588 
    3000   -17647.512   -17647.512   -17721.283   -17721.283    285.50275    285.50275    31699.758    31699.758    6433.0551    6433.0551 
Loop time of 12.3049 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.022 ns/day, 3.418 hours/ns, 81.268 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.869     | 11.869     | 11.869     |   0.0 | 96.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.072916   | 0.072916   | 0.072916   |   0.0 |  0.59
Output  | 0.00025327 | 0.00025327 | 0.00025327 |   0.0 |  0.00
Modify  | 0.31584    | 0.31584    | 0.31584    |   0.0 |  2.57
Other   |            | 0.04709    |            |       |  0.38

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128196.0 ave      128196 max      128196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128196
Ave neighs/atom = 64.098000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -17647.512   -17647.512   -17721.283   -17721.283    285.50275    285.50275    31699.758    31699.758    6433.0551    6433.0551 
    4000   -17644.117   -17644.117   -17725.242   -17725.242    313.96261    313.96261    31763.418    31763.418   -355.91119   -355.91119 
Loop time of 11.7342 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.363 ns/day, 3.260 hours/ns, 85.221 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    | 11.34      | 11.34      | 11.34      |   0.0 | 96.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067233   | 0.067233   | 0.067233   |   0.0 |  0.57
Output  | 0.00043067 | 0.00043067 | 0.00043067 |   0.0 |  0.00
Modify  | 0.28692    | 0.28692    | 0.28692    |   0.0 |  2.45
Other   |            | 0.04003    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128292.0 ave      128292 max      128292 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128292
Ave neighs/atom = 64.146000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -17644.117   -17644.117   -17725.242   -17725.242    313.96261    313.96261    31763.418    31763.418   -355.91119   -355.91119 
    5000   -17647.001   -17647.001   -17723.458   -17723.458    295.89352    295.89352    31752.895    31752.895    1035.7366    1035.7366 
Loop time of 11.6888 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.392 ns/day, 3.247 hours/ns, 85.552 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    | 11.297     | 11.297     | 11.297     |   0.0 | 96.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067134   | 0.067134   | 0.067134   |   0.0 |  0.57
Output  | 0.00016593 | 0.00016593 | 0.00016593 |   0.0 |  0.00
Modify  | 0.28609    | 0.28609    | 0.28609    |   0.0 |  2.45
Other   |            | 0.03893    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128160.0 ave      128160 max      128160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128160
Ave neighs/atom = 64.080000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 289.517594692262, Press = -137.575718555214
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -17647.001   -17647.001   -17723.458   -17723.458    295.89352    295.89352    31752.895    31752.895    1035.7366    1035.7366 
    6000   -17645.456   -17645.456   -17719.991   -17719.991     288.4594     288.4594    31773.249    31773.249   -80.444273   -80.444273 
Loop time of 12.0507 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.170 ns/day, 3.347 hours/ns, 82.982 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    | 11.62      | 11.62      | 11.62      |   0.0 | 96.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.071869   | 0.071869   | 0.071869   |   0.0 |  0.60
Output  | 9.7973e-05 | 9.7973e-05 | 9.7973e-05 |   0.0 |  0.00
Modify  | 0.31357    | 0.31357    | 0.31357    |   0.0 |  2.60
Other   |            | 0.04533    |            |       |  0.38

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128176.0 ave      128176 max      128176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128176
Ave neighs/atom = 64.088000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.659225399124, Press = -27.5073217164417
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -17645.456   -17645.456   -17719.991   -17719.991     288.4594     288.4594    31773.249    31773.249   -80.444273   -80.444273 
    7000   -17648.776   -17648.776   -17723.844   -17723.844    290.52241    290.52241    31740.995    31740.995     2099.046     2099.046 
Loop time of 11.7239 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.370 ns/day, 3.257 hours/ns, 85.296 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    | 11.327     | 11.327     | 11.327     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066355   | 0.066355   | 0.066355   |   0.0 |  0.57
Output  | 0.00014076 | 0.00014076 | 0.00014076 |   0.0 |  0.00
Modify  | 0.29254    | 0.29254    | 0.29254    |   0.0 |  2.50
Other   |            | 0.03837    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128234.0 ave      128234 max      128234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128234
Ave neighs/atom = 64.117000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.751349104229, Press = -19.4089968178818
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -17648.776   -17648.776   -17723.844   -17723.844    290.52241    290.52241    31740.995    31740.995     2099.046     2099.046 
    8000   -17644.495   -17644.495   -17718.538   -17718.538    286.55207    286.55207     31759.95     31759.95    1583.5039    1583.5039 
Loop time of 11.6848 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.394 ns/day, 3.246 hours/ns, 85.581 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.287     | 11.287     | 11.287     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066664   | 0.066664   | 0.066664   |   0.0 |  0.57
Output  | 0.00025748 | 0.00025748 | 0.00025748 |   0.0 |  0.00
Modify  | 0.29248    | 0.29248    | 0.29248    |   0.0 |  2.50
Other   |            | 0.0386     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128218.0 ave      128218 max      128218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128218
Ave neighs/atom = 64.109000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.674797100852, Press = -16.6262479219458
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -17644.495   -17644.495   -17718.538   -17718.538    286.55207    286.55207     31759.95     31759.95    1583.5039    1583.5039 
    9000   -17650.378   -17650.378   -17725.428   -17725.428    290.45202    290.45202    31779.958    31779.958   -1908.9363   -1908.9363 
Loop time of 11.6939 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.388 ns/day, 3.248 hours/ns, 85.515 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.298     | 11.298     | 11.298     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066721   | 0.066721   | 0.066721   |   0.0 |  0.57
Output  | 9.8952e-05 | 9.8952e-05 | 9.8952e-05 |   0.0 |  0.00
Modify  | 0.29113    | 0.29113    | 0.29113    |   0.0 |  2.49
Other   |            | 0.03825    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128238.0 ave      128238 max      128238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128238
Ave neighs/atom = 64.119000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.639196191991, Press = -12.7285046616806
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -17650.378   -17650.378   -17725.428   -17725.428    290.45202    290.45202    31779.958    31779.958   -1908.9363   -1908.9363 
   10000   -17646.243   -17646.243   -17721.519   -17721.519    291.32858    291.32858    31818.741    31818.741   -4546.9766   -4546.9766 
Loop time of 11.6682 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.405 ns/day, 3.241 hours/ns, 85.703 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    | 11.272     | 11.272     | 11.272     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06677    | 0.06677    | 0.06677    |   0.0 |  0.57
Output  | 0.00012922 | 0.00012922 | 0.00012922 |   0.0 |  0.00
Modify  | 0.29079    | 0.29079    | 0.29079    |   0.0 |  2.49
Other   |            | 0.0383     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128146.0 ave      128146 max      128146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128146
Ave neighs/atom = 64.073000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.954275677005, Press = -20.9169916612916
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -17646.243   -17646.243   -17721.519   -17721.519    291.32858    291.32858    31818.741    31818.741   -4546.9766   -4546.9766 
   11000    -17643.46    -17643.46   -17722.591   -17722.591     306.2425     306.2425    31748.745    31748.745     1877.306     1877.306 
Loop time of 11.6769 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.399 ns/day, 3.244 hours/ns, 85.639 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    | 11.28      | 11.28      | 11.28      |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067117   | 0.067117   | 0.067117   |   0.0 |  0.57
Output  | 0.00012854 | 0.00012854 | 0.00012854 |   0.0 |  0.00
Modify  | 0.29079    | 0.29079    | 0.29079    |   0.0 |  2.49
Other   |            | 0.03832    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128172.0 ave      128172 max      128172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128172
Ave neighs/atom = 64.086000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.631435860577, Press = -4.80457126577485
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000    -17643.46    -17643.46   -17722.591   -17722.591     306.2425     306.2425    31748.745    31748.745     1877.306     1877.306 
   12000   -17647.287   -17647.287   -17723.118   -17723.118    293.47217    293.47217    31763.285    31763.285    146.27109    146.27109 
Loop time of 11.6698 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.404 ns/day, 3.242 hours/ns, 85.691 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    | 11.274     | 11.274     | 11.274     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066716   | 0.066716   | 0.066716   |   0.0 |  0.57
Output  | 8.6529e-05 | 8.6529e-05 | 8.6529e-05 |   0.0 |  0.00
Modify  | 0.29067    | 0.29067    | 0.29067    |   0.0 |  2.49
Other   |            | 0.03815    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128222.0 ave      128222 max      128222 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128222
Ave neighs/atom = 64.111000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.505041929478, Press = -2.72388054660199
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -17647.287   -17647.287   -17723.118   -17723.118    293.47217    293.47217    31763.285    31763.285    146.27109    146.27109 
   13000   -17645.928   -17645.928   -17722.716   -17722.716    297.17487    297.17487    31735.183    31735.183    3037.5029    3037.5029 
Loop time of 11.6703 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.403 ns/day, 3.242 hours/ns, 85.688 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.275     | 11.275     | 11.275     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066423   | 0.066423   | 0.066423   |   0.0 |  0.57
Output  | 0.00013349 | 0.00013349 | 0.00013349 |   0.0 |  0.00
Modify  | 0.29089    | 0.29089    | 0.29089    |   0.0 |  2.49
Other   |            | 0.03811    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128192.0 ave      128192 max      128192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128192
Ave neighs/atom = 64.096000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.835258066522, Press = -7.83857249987123
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -17645.928   -17645.928   -17722.716   -17722.716    297.17487    297.17487    31735.183    31735.183    3037.5029    3037.5029 
   14000   -17644.569   -17644.569   -17722.615   -17722.615    302.04392    302.04392    31762.426    31762.426    787.11958    787.11958 
Loop time of 11.674 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.401 ns/day, 3.243 hours/ns, 85.660 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    | 11.278     | 11.278     | 11.278     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066695   | 0.066695   | 0.066695   |   0.0 |  0.57
Output  | 8.6575e-05 | 8.6575e-05 | 8.6575e-05 |   0.0 |  0.00
Modify  | 0.29058    | 0.29058    | 0.29058    |   0.0 |  2.49
Other   |            | 0.03818    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128230.0 ave      128230 max      128230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128230
Ave neighs/atom = 64.115000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.01279637525, Press = -1.57734579269626
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -17644.569   -17644.569   -17722.615   -17722.615    302.04392    302.04392    31762.426    31762.426    787.11958    787.11958 
   15000   -17648.837   -17648.837   -17722.375   -17722.375    284.59915    284.59915    31761.687    31761.687    467.89983    467.89983 
Loop time of 11.6694 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.404 ns/day, 3.242 hours/ns, 85.694 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.273     | 11.273     | 11.273     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067064   | 0.067064   | 0.067064   |   0.0 |  0.57
Output  | 0.00048537 | 0.00048537 | 0.00048537 |   0.0 |  0.00
Modify  | 0.29074    | 0.29074    | 0.29074    |   0.0 |  2.49
Other   |            | 0.03818    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128180.0 ave      128180 max      128180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128180
Ave neighs/atom = 64.090000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.006445334599, Press = -5.60189272413659
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -17648.837   -17648.837   -17722.375   -17722.375    284.59915    284.59915    31761.687    31761.687    467.89983    467.89983 
   16000   -17645.144   -17645.144   -17719.925   -17719.925    289.40934    289.40934    31784.316    31784.316   -1095.9877   -1095.9877 
Loop time of 11.6763 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.400 ns/day, 3.243 hours/ns, 85.643 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    | 11.281     | 11.281     | 11.281     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066744   | 0.066744   | 0.066744   |   0.0 |  0.57
Output  | 9.4838e-05 | 9.4838e-05 | 9.4838e-05 |   0.0 |  0.00
Modify  | 0.29074    | 0.29074    | 0.29074    |   0.0 |  2.49
Other   |            | 0.03801    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128190.0 ave      128190 max      128190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128190
Ave neighs/atom = 64.095000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.81859462635, Press = -4.69266879126419
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -17645.144   -17645.144   -17719.925   -17719.925    289.40934    289.40934    31784.316    31784.316   -1095.9877   -1095.9877 
   17000    -17649.52    -17649.52   -17723.584   -17723.584    286.63429    286.63429    31752.843    31752.843    754.52671    754.52671 
Loop time of 11.6987 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.385 ns/day, 3.250 hours/ns, 85.479 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    | 11.303     | 11.303     | 11.303     |   0.0 | 96.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066851   | 0.066851   | 0.066851   |   0.0 |  0.57
Output  | 9.6081e-05 | 9.6081e-05 | 9.6081e-05 |   0.0 |  0.00
Modify  | 0.29078    | 0.29078    | 0.29078    |   0.0 |  2.49
Other   |            | 0.03817    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128214.0 ave      128214 max      128214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128214
Ave neighs/atom = 64.107000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.791617938419, Press = -1.03346786110128
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000    -17649.52    -17649.52   -17723.584   -17723.584    286.63429    286.63429    31752.843    31752.843    754.52671    754.52671 
   18000   -17644.506   -17644.506   -17720.545   -17720.545    294.27978    294.27978    31747.295    31747.295    2356.5522    2356.5522 
Loop time of 11.6957 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.387 ns/day, 3.249 hours/ns, 85.502 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.3       | 11.3       | 11.3       |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067123   | 0.067123   | 0.067123   |   0.0 |  0.57
Output  | 9.6378e-05 | 9.6378e-05 | 9.6378e-05 |   0.0 |  0.00
Modify  | 0.29051    | 0.29051    | 0.29051    |   0.0 |  2.48
Other   |            | 0.03824    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128250.0 ave      128250 max      128250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128250
Ave neighs/atom = 64.125000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.732465420961, Press = -1.53211919663505
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -17644.506   -17644.506   -17720.545   -17720.545    294.27978    294.27978    31747.295    31747.295    2356.5522    2356.5522 
   19000   -17649.614   -17649.614   -17720.654   -17720.654    274.93409    274.93409    31764.512    31764.512    357.38102    357.38102 
Loop time of 11.6902 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.391 ns/day, 3.247 hours/ns, 85.542 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    | 11.294     | 11.294     | 11.294     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066832   | 0.066832   | 0.066832   |   0.0 |  0.57
Output  | 0.00013845 | 0.00013845 | 0.00013845 |   0.0 |  0.00
Modify  | 0.29076    | 0.29076    | 0.29076    |   0.0 |  2.49
Other   |            | 0.03826    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128262.0 ave      128262 max      128262 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128262
Ave neighs/atom = 64.131000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.640215852655, Press = -1.07284576187495
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -17649.614   -17649.614   -17720.654   -17720.654    274.93409    274.93409    31764.512    31764.512    357.38102    357.38102 
   20000   -17645.815   -17645.815   -17720.382   -17720.382    288.58359    288.58359    31799.761    31799.761   -2656.7534   -2656.7534 
Loop time of 11.6659 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.406 ns/day, 3.241 hours/ns, 85.720 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    | 11.27      | 11.27      | 11.27      |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067001   | 0.067001   | 0.067001   |   0.0 |  0.57
Output  | 9.4429e-05 | 9.4429e-05 | 9.4429e-05 |   0.0 |  0.00
Modify  | 0.29064    | 0.29064    | 0.29064    |   0.0 |  2.49
Other   |            | 0.03818    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128214.0 ave      128214 max      128214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128214
Ave neighs/atom = 64.107000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.526386312505, Press = -3.60101594014943
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -17645.815   -17645.815   -17720.382   -17720.382    288.58359    288.58359    31799.761    31799.761   -2656.7534   -2656.7534 
   21000   -17647.646   -17647.646   -17723.819   -17723.819    294.79794    294.79794    31746.238    31746.238     1697.313     1697.313 
Loop time of 11.675 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.400 ns/day, 3.243 hours/ns, 85.653 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.279     | 11.279     | 11.279     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066879   | 0.066879   | 0.066879   |   0.0 |  0.57
Output  | 9.3016e-05 | 9.3016e-05 | 9.3016e-05 |   0.0 |  0.00
Modify  | 0.29058    | 0.29058    | 0.29058    |   0.0 |  2.49
Other   |            | 0.0382     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128166.0 ave      128166 max      128166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128166
Ave neighs/atom = 64.083000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.461306111184, Press = -4.22386070926381
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -17647.646   -17647.646   -17723.819   -17723.819    294.79794    294.79794    31746.238    31746.238     1697.313     1697.313 
   22000   -17645.461   -17645.461   -17720.036   -17720.036    288.61573    288.61573    31790.612    31790.612   -1735.0768   -1735.0768 
Loop time of 11.733 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.364 ns/day, 3.259 hours/ns, 85.230 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    | 11.337     | 11.337     | 11.337     |   0.0 | 96.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066875   | 0.066875   | 0.066875   |   0.0 |  0.57
Output  | 9.2305e-05 | 9.2305e-05 | 9.2305e-05 |   0.0 |  0.00
Modify  | 0.29073    | 0.29073    | 0.29073    |   0.0 |  2.48
Other   |            | 0.0382     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128200.0 ave      128200 max      128200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128200
Ave neighs/atom = 64.100000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.491713456226, Press = -1.03209804551601
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -17645.461   -17645.461   -17720.036   -17720.036    288.61573    288.61573    31790.612    31790.612   -1735.0768   -1735.0768 
   23000   -17646.389   -17646.389    -17722.58    -17722.58    294.86882    294.86882    31781.076    31781.076   -1177.0031   -1177.0031 
Loop time of 11.6932 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.389 ns/day, 3.248 hours/ns, 85.520 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    | 11.297     | 11.297     | 11.297     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066968   | 0.066968   | 0.066968   |   0.0 |  0.57
Output  | 9.7764e-05 | 9.7764e-05 | 9.7764e-05 |   0.0 |  0.00
Modify  | 0.29063    | 0.29063    | 0.29063    |   0.0 |  2.49
Other   |            | 0.03822    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128244.0 ave      128244 max      128244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128244
Ave neighs/atom = 64.122000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.365179601712, Press = -3.08697136389405
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -17646.389   -17646.389    -17722.58    -17722.58    294.86882    294.86882    31781.076    31781.076   -1177.0031   -1177.0031 
   24000   -17646.256   -17646.256   -17722.782   -17722.782    296.16389    296.16389    31780.445    31780.445   -1261.8696   -1261.8696 
Loop time of 11.6788 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.398 ns/day, 3.244 hours/ns, 85.625 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.283     | 11.283     | 11.283     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06712    | 0.06712    | 0.06712    |   0.0 |  0.57
Output  | 0.00013189 | 0.00013189 | 0.00013189 |   0.0 |  0.00
Modify  | 0.29057    | 0.29057    | 0.29057    |   0.0 |  2.49
Other   |            | 0.03828    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128172.0 ave      128172 max      128172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128172
Ave neighs/atom = 64.086000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.347154243949, Press = 0.302197133394349
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -17646.256   -17646.256   -17722.782   -17722.782    296.16389    296.16389    31780.445    31780.445   -1261.8696   -1261.8696 
   25000   -17642.813   -17642.813   -17718.008   -17718.008    291.01523    291.01523    31768.197    31768.197    832.61718    832.61718 
Loop time of 11.6751 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.400 ns/day, 3.243 hours/ns, 85.653 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.279     | 11.279     | 11.279     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067067   | 0.067067   | 0.067067   |   0.0 |  0.57
Output  | 8.6327e-05 | 8.6327e-05 | 8.6327e-05 |   0.0 |  0.00
Modify  | 0.29049    | 0.29049    | 0.29049    |   0.0 |  2.49
Other   |            | 0.03816    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128192.0 ave      128192 max      128192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128192
Ave neighs/atom = 64.096000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.34648861965, Press = -3.87785024283974
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -17642.813   -17642.813   -17718.008   -17718.008    291.01523    291.01523    31768.197    31768.197    832.61718    832.61718 
   26000   -17647.343   -17647.343   -17723.427   -17723.427    294.45437    294.45437    31764.836    31764.836   -42.845969   -42.845969 
Loop time of 11.6679 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.405 ns/day, 3.241 hours/ns, 85.705 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    | 11.272     | 11.272     | 11.272     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066571   | 0.066571   | 0.066571   |   0.0 |  0.57
Output  | 9.2231e-05 | 9.2231e-05 | 9.2231e-05 |   0.0 |  0.00
Modify  | 0.29067    | 0.29067    | 0.29067    |   0.0 |  2.49
Other   |            | 0.03817    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128236.0 ave      128236 max      128236 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128236
Ave neighs/atom = 64.118000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.475152650753, Press = 1.89239009196619
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -17647.343   -17647.343   -17723.427   -17723.427    294.45437    294.45437    31764.836    31764.836   -42.845969   -42.845969 
   27000   -17648.476   -17648.476    -17722.65    -17722.65    287.06134    287.06134    31786.173    31786.173   -1852.5546   -1852.5546 
Loop time of 11.6838 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.395 ns/day, 3.246 hours/ns, 85.589 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    | 11.288     | 11.288     | 11.288     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066974   | 0.066974   | 0.066974   |   0.0 |  0.57
Output  | 9.2459e-05 | 9.2459e-05 | 9.2459e-05 |   0.0 |  0.00
Modify  | 0.29089    | 0.29089    | 0.29089    |   0.0 |  2.49
Other   |            | 0.0382     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128172.0 ave      128172 max      128172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128172
Ave neighs/atom = 64.086000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.54640843713, Press = -2.53350637097796
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -17648.476   -17648.476    -17722.65    -17722.65    287.06134    287.06134    31786.173    31786.173   -1852.5546   -1852.5546 
   28000   -17647.594   -17647.594   -17722.555   -17722.555    290.10679    290.10679    31800.567    31800.567   -3149.8115   -3149.8115 
Loop time of 11.6456 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.419 ns/day, 3.235 hours/ns, 85.869 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    | 11.25      | 11.25      | 11.25      |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066764   | 0.066764   | 0.066764   |   0.0 |  0.57
Output  | 9.7391e-05 | 9.7391e-05 | 9.7391e-05 |   0.0 |  0.00
Modify  | 0.29046    | 0.29046    | 0.29046    |   0.0 |  2.49
Other   |            | 0.03815    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128194.0 ave      128194 max      128194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128194
Ave neighs/atom = 64.097000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.405190569594, Press = -1.85727826703611
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -17647.594   -17647.594   -17722.555   -17722.555    290.10679    290.10679    31800.567    31800.567   -3149.8115   -3149.8115 
   29000   -17645.777   -17645.777   -17720.022   -17720.022    287.33366    287.33366    31749.781    31749.781    2255.9419    2255.9419 
Loop time of 11.6732 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.402 ns/day, 3.243 hours/ns, 85.666 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    | 11.277     | 11.277     | 11.277     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067151   | 0.067151   | 0.067151   |   0.0 |  0.58
Output  | 9.3382e-05 | 9.3382e-05 | 9.3382e-05 |   0.0 |  0.00
Modify  | 0.29044    | 0.29044    | 0.29044    |   0.0 |  2.49
Other   |            | 0.03819    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128172.0 ave      128172 max      128172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128172
Ave neighs/atom = 64.086000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.404068523495, Press = 0.619051111396216
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -17645.777   -17645.777   -17720.022   -17720.022    287.33366    287.33366    31749.781    31749.781    2255.9419    2255.9419 
   30000   -17648.359   -17648.359    -17721.47    -17721.47    282.94761    282.94761    31777.915    31777.915   -1038.4232   -1038.4232 
Loop time of 11.6648 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.407 ns/day, 3.240 hours/ns, 85.728 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    | 11.269     | 11.269     | 11.269     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066615   | 0.066615   | 0.066615   |   0.0 |  0.57
Output  | 8.6845e-05 | 8.6845e-05 | 8.6845e-05 |   0.0 |  0.00
Modify  | 0.29063    | 0.29063    | 0.29063    |   0.0 |  2.49
Other   |            | 0.03819    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128214.0 ave      128214 max      128214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128214
Ave neighs/atom = 64.107000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.32747483844, Press = -0.602821054327225
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -17648.359   -17648.359    -17721.47    -17721.47    282.94761    282.94761    31777.915    31777.915   -1038.4232   -1038.4232 
   31000   -17645.612   -17645.612   -17721.405   -17721.405    293.32623    293.32623      31777.4      31777.4   -660.01884   -660.01884 
Loop time of 11.6624 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.408 ns/day, 3.240 hours/ns, 85.746 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    | 11.267     | 11.267     | 11.267     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066734   | 0.066734   | 0.066734   |   0.0 |  0.57
Output  | 9.1806e-05 | 9.1806e-05 | 9.1806e-05 |   0.0 |  0.00
Modify  | 0.29067    | 0.29067    | 0.29067    |   0.0 |  2.49
Other   |            | 0.03818    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128162.0 ave      128162 max      128162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128162
Ave neighs/atom = 64.081000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.347170324042, Press = -2.89697938265361
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -17645.612   -17645.612   -17721.405   -17721.405    293.32623    293.32623      31777.4      31777.4   -660.01884   -660.01884 
   32000   -17642.355   -17642.355   -17719.113   -17719.113    297.06486    297.06486    31737.931    31737.931    3363.1542    3363.1542 
Loop time of 11.6943 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.388 ns/day, 3.248 hours/ns, 85.512 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    | 11.299     | 11.299     | 11.299     |   0.0 | 96.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066678   | 0.066678   | 0.066678   |   0.0 |  0.57
Output  | 8.7359e-05 | 8.7359e-05 | 8.7359e-05 |   0.0 |  0.00
Modify  | 0.29082    | 0.29082    | 0.29082    |   0.0 |  2.49
Other   |            | 0.0382     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128216.0 ave      128216 max      128216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128216
Ave neighs/atom = 64.108000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.397341500225, Press = -1.53969600145261
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -17642.355   -17642.355   -17719.113   -17719.113    297.06486    297.06486    31737.931    31737.931    3363.1542    3363.1542 
   33000   -17648.222   -17648.222   -17724.496   -17724.496    295.18851    295.18851    31778.757    31778.757   -1537.2559   -1537.2559 
Loop time of 11.6478 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.418 ns/day, 3.236 hours/ns, 85.853 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    | 11.252     | 11.252     | 11.252     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06735    | 0.06735    | 0.06735    |   0.0 |  0.58
Output  | 8.9646e-05 | 8.9646e-05 | 8.9646e-05 |   0.0 |  0.00
Modify  | 0.29051    | 0.29051    | 0.29051    |   0.0 |  2.49
Other   |            | 0.03812    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128274.0 ave      128274 max      128274 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128274
Ave neighs/atom = 64.137000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.460778719497, Press = 0.0356706496810371
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -17648.222   -17648.222   -17724.496   -17724.496    295.18851    295.18851    31778.757    31778.757   -1537.2559   -1537.2559 
   34000    -17643.46    -17643.46   -17718.336   -17718.336     289.7752     289.7752    31795.938    31795.938   -1953.9381   -1953.9381 
Loop time of 11.6934 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.389 ns/day, 3.248 hours/ns, 85.518 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    | 11.298     | 11.298     | 11.298     |   0.0 | 96.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066648   | 0.066648   | 0.066648   |   0.0 |  0.57
Output  | 0.0001292  | 0.0001292  | 0.0001292  |   0.0 |  0.00
Modify  | 0.2908     | 0.2908     | 0.2908     |   0.0 |  2.49
Other   |            | 0.03818    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128162.0 ave      128162 max      128162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128162
Ave neighs/atom = 64.081000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.485984729295, Press = -1.03958853817478
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000    -17643.46    -17643.46   -17718.336   -17718.336     289.7752     289.7752    31795.938    31795.938   -1953.9381   -1953.9381 
   35000   -17646.411   -17646.411   -17723.069   -17723.069     296.6748     296.6748    31775.186    31775.186   -876.73639   -876.73639 
Loop time of 11.7095 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.379 ns/day, 3.253 hours/ns, 85.401 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    | 11.314     | 11.314     | 11.314     |   0.0 | 96.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066893   | 0.066893   | 0.066893   |   0.0 |  0.57
Output  | 9.6348e-05 | 9.6348e-05 | 9.6348e-05 |   0.0 |  0.00
Modify  | 0.29052    | 0.29052    | 0.29052    |   0.0 |  2.48
Other   |            | 0.03814    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128258.0 ave      128258 max      128258 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128258
Ave neighs/atom = 64.129000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.490739631083, Press = -2.59807221224412
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -17646.411   -17646.411   -17723.069   -17723.069     296.6748     296.6748    31775.186    31775.186   -876.73639   -876.73639 
   36000   -17650.277   -17650.277   -17724.527   -17724.527     287.3539     287.3539    31771.513    31771.513   -1041.1055   -1041.1055 
Loop time of 11.6516 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.415 ns/day, 3.237 hours/ns, 85.825 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    | 11.256     | 11.256     | 11.256     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066596   | 0.066596   | 0.066596   |   0.0 |  0.57
Output  | 9.386e-05  | 9.386e-05  | 9.386e-05  |   0.0 |  0.00
Modify  | 0.29059    | 0.29059    | 0.29059    |   0.0 |  2.49
Other   |            | 0.03812    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128136.0 ave      128136 max      128136 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128136
Ave neighs/atom = 64.068000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.488941542514, Press = 0.208077136599452
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -17650.277   -17650.277   -17724.527   -17724.527     287.3539     287.3539    31771.513    31771.513   -1041.1055   -1041.1055 
   37000   -17646.715   -17646.715   -17720.678   -17720.678     286.2444     286.2444    31767.663    31767.663     111.0197     111.0197 
Loop time of 11.6765 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.399 ns/day, 3.243 hours/ns, 85.642 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    | 11.281     | 11.281     | 11.281     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067156   | 0.067156   | 0.067156   |   0.0 |  0.58
Output  | 8.8143e-05 | 8.8143e-05 | 8.8143e-05 |   0.0 |  0.00
Modify  | 0.29072    | 0.29072    | 0.29072    |   0.0 |  2.49
Other   |            | 0.03797    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128180.0 ave      128180 max      128180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128180
Ave neighs/atom = 64.090000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.45631781679, Press = -2.37748821584399
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -17646.715   -17646.715   -17720.678   -17720.678     286.2444     286.2444    31767.663    31767.663     111.0197     111.0197 
   38000   -17647.427   -17647.427   -17722.936   -17722.936    292.22911    292.22911    31761.904    31761.904    439.08173    439.08173 
Loop time of 11.7 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.385 ns/day, 3.250 hours/ns, 85.470 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    | 11.304     | 11.304     | 11.304     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067432   | 0.067432   | 0.067432   |   0.0 |  0.58
Output  | 8.7116e-05 | 8.7116e-05 | 8.7116e-05 |   0.0 |  0.00
Modify  | 0.29043    | 0.29043    | 0.29043    |   0.0 |  2.48
Other   |            | 0.03819    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128236.0 ave      128236 max      128236 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128236
Ave neighs/atom = 64.118000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.52032173028, Press = 1.79694729994016
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -17647.427   -17647.427   -17722.936   -17722.936    292.22911    292.22911    31761.904    31761.904    439.08173    439.08173 
   39000   -17644.776   -17644.776   -17717.944   -17717.944    283.16799    283.16799    31808.692    31808.692   -3098.1466   -3098.1466 
Loop time of 11.7061 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.381 ns/day, 3.252 hours/ns, 85.425 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    | 11.31      | 11.31      | 11.31      |   0.0 | 96.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067038   | 0.067038   | 0.067038   |   0.0 |  0.57
Output  | 9.3717e-05 | 9.3717e-05 | 9.3717e-05 |   0.0 |  0.00
Modify  | 0.29058    | 0.29058    | 0.29058    |   0.0 |  2.48
Other   |            | 0.03809    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128218.0 ave      128218 max      128218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128218
Ave neighs/atom = 64.109000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.594951337315, Press = -1.26791940078283
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -17644.776   -17644.776   -17717.944   -17717.944    283.16799    283.16799    31808.692    31808.692   -3098.1466   -3098.1466 
   40000   -17645.213   -17645.213   -17722.382   -17722.382    298.65035    298.65035    31791.325    31791.325   -2294.8791   -2294.8791 
Loop time of 11.6827 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.396 ns/day, 3.245 hours/ns, 85.596 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.287     | 11.287     | 11.287     |   0.0 | 96.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06649    | 0.06649    | 0.06649    |   0.0 |  0.57
Output  | 9.5437e-05 | 9.5437e-05 | 9.5437e-05 |   0.0 |  0.00
Modify  | 0.29046    | 0.29046    | 0.29046    |   0.0 |  2.49
Other   |            | 0.03838    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128184.0 ave      128184 max      128184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128184
Ave neighs/atom = 64.092000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.669058863553, Press = -2.03348212235852
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -17645.213   -17645.213   -17722.382   -17722.382    298.65035    298.65035    31791.325    31791.325   -2294.8791   -2294.8791 
   41000   -17643.282   -17643.282   -17719.722   -17719.722    295.82996    295.82996    31764.619    31764.619    904.37022    904.37022 
Loop time of 11.5886 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.456 ns/day, 3.219 hours/ns, 86.292 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.196     | 11.196     | 11.196     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065795   | 0.065795   | 0.065795   |   0.0 |  0.57
Output  | 0.00010765 | 0.00010765 | 0.00010765 |   0.0 |  0.00
Modify  | 0.28899    | 0.28899    | 0.28899    |   0.0 |  2.49
Other   |            | 0.03777    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128170.0 ave      128170 max      128170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128170
Ave neighs/atom = 64.085000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.67608408748, Press = 0.149499725705475
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -17643.282   -17643.282   -17719.722   -17719.722    295.82996    295.82996    31764.619    31764.619    904.37022    904.37022 
   42000   -17647.367   -17647.367   -17720.269   -17720.269    282.13893    282.13893    31798.017    31798.017   -2555.3715   -2555.3715 
Loop time of 11.5054 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.510 ns/day, 3.196 hours/ns, 86.916 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    | 11.114     | 11.114     | 11.114     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065964   | 0.065964   | 0.065964   |   0.0 |  0.57
Output  | 8.8354e-05 | 8.8354e-05 | 8.8354e-05 |   0.0 |  0.00
Modify  | 0.28794    | 0.28794    | 0.28794    |   0.0 |  2.50
Other   |            | 0.03738    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128248.0 ave      128248 max      128248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128248
Ave neighs/atom = 64.124000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.752734017997, Press = -1.72393341217216
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -17647.367   -17647.367   -17720.269   -17720.269    282.13893    282.13893    31798.017    31798.017   -2555.3715   -2555.3715 
   43000   -17644.301   -17644.301   -17720.541   -17720.541    295.05634    295.05634    31751.007    31751.007     1929.806     1929.806 
Loop time of 11.4794 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.527 ns/day, 3.189 hours/ns, 87.112 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    | 11.089     | 11.089     | 11.089     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065844   | 0.065844   | 0.065844   |   0.0 |  0.57
Output  | 8.5058e-05 | 8.5058e-05 | 8.5058e-05 |   0.0 |  0.00
Modify  | 0.28706    | 0.28706    | 0.28706    |   0.0 |  2.50
Other   |            | 0.03736    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128194.0 ave      128194 max      128194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128194
Ave neighs/atom = 64.097000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.800443722283, Press = -0.867802898879054
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -17644.301   -17644.301   -17720.541   -17720.541    295.05634    295.05634    31751.007    31751.007     1929.806     1929.806 
   44000   -17646.312   -17646.312   -17721.751   -17721.751    291.95674    291.95674    31772.794    31772.794   -590.11603   -590.11603 
Loop time of 11.503 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.511 ns/day, 3.195 hours/ns, 86.934 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    | 11.112     | 11.112     | 11.112     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066181   | 0.066181   | 0.066181   |   0.0 |  0.58
Output  | 0.00011543 | 0.00011543 | 0.00011543 |   0.0 |  0.00
Modify  | 0.28756    | 0.28756    | 0.28756    |   0.0 |  2.50
Other   |            | 0.03762    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128228.0 ave      128228 max      128228 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128228
Ave neighs/atom = 64.114000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.787747633938, Press = -2.22219116944268
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -17646.312   -17646.312   -17721.751   -17721.751    291.95674    291.95674    31772.794    31772.794   -590.11603   -590.11603 
   45000   -17644.881   -17644.881   -17721.463   -17721.463    296.37809    296.37809    31768.729    31768.729    115.71262    115.71262 
Loop time of 11.4955 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.516 ns/day, 3.193 hours/ns, 86.990 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    | 11.105     | 11.105     | 11.105     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065587   | 0.065587   | 0.065587   |   0.0 |  0.57
Output  | 8.4084e-05 | 8.4084e-05 | 8.4084e-05 |   0.0 |  0.00
Modify  | 0.28711    | 0.28711    | 0.28711    |   0.0 |  2.50
Other   |            | 0.03741    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128184.0 ave      128184 max      128184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128184
Ave neighs/atom = 64.092000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.835610640419, Press = 0.372263924809929
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -17644.881   -17644.881   -17721.463   -17721.463    296.37809    296.37809    31768.729    31768.729    115.71262    115.71262 
   46000   -17645.705   -17645.705   -17720.539   -17720.539    289.61438    289.61438    31807.295    31807.295   -3510.6122   -3510.6122 
Loop time of 11.4779 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.527 ns/day, 3.188 hours/ns, 87.124 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    | 11.088     | 11.088     | 11.088     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065556   | 0.065556   | 0.065556   |   0.0 |  0.57
Output  | 8.4443e-05 | 8.4443e-05 | 8.4443e-05 |   0.0 |  0.00
Modify  | 0.2871     | 0.2871     | 0.2871     |   0.0 |  2.50
Other   |            | 0.03757    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128174.0 ave      128174 max      128174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128174
Ave neighs/atom = 64.087000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.84920301553, Press = 0.242104647161404
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -17645.705   -17645.705   -17720.539   -17720.539    289.61438    289.61438    31807.295    31807.295   -3510.6122   -3510.6122 
   47000   -17647.379   -17647.379   -17721.683   -17721.683      287.564      287.564    31777.621    31777.621   -880.78355   -880.78355 
Loop time of 11.487 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.522 ns/day, 3.191 hours/ns, 87.055 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    | 11.097     | 11.097     | 11.097     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065894   | 0.065894   | 0.065894   |   0.0 |  0.57
Output  | 8.649e-05  | 8.649e-05  | 8.649e-05  |   0.0 |  0.00
Modify  | 0.28637    | 0.28637    | 0.28637    |   0.0 |  2.49
Other   |            | 0.03736    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128166.0 ave      128166 max      128166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128166
Ave neighs/atom = 64.083000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.915713542946, Press = -0.926244437404764
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -17647.379   -17647.379   -17721.683   -17721.683      287.564      287.564    31777.621    31777.621   -880.78355   -880.78355 
   48000   -17644.418   -17644.418   -17721.553   -17721.553    298.52186    298.52186    31756.555    31756.555    1283.6058    1283.6058 
Loop time of 11.4919 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.518 ns/day, 3.192 hours/ns, 87.018 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    | 11.102     | 11.102     | 11.102     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065768   | 0.065768   | 0.065768   |   0.0 |  0.57
Output  | 9.3627e-05 | 9.3627e-05 | 9.3627e-05 |   0.0 |  0.00
Modify  | 0.28714    | 0.28714    | 0.28714    |   0.0 |  2.50
Other   |            | 0.03735    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128190.0 ave      128190 max      128190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128190
Ave neighs/atom = 64.095000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.936886952334, Press = -0.45939938243302
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -17644.418   -17644.418   -17721.553   -17721.553    298.52186    298.52186    31756.555    31756.555    1283.6058    1283.6058 
   49000   -17649.713   -17649.713   -17723.719   -17723.719    286.41158    286.41158    31740.543    31740.543    2118.7851    2118.7851 
Loop time of 11.5071 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.508 ns/day, 3.196 hours/ns, 86.903 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    | 11.117     | 11.117     | 11.117     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065711   | 0.065711   | 0.065711   |   0.0 |  0.57
Output  | 8.4657e-05 | 8.4657e-05 | 8.4657e-05 |   0.0 |  0.00
Modify  | 0.28694    | 0.28694    | 0.28694    |   0.0 |  2.49
Other   |            | 0.03736    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128162.0 ave      128162 max      128162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128162
Ave neighs/atom = 64.081000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.924789736652, Press = -0.0362266425138622
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -17649.713   -17649.713   -17723.719   -17723.719    286.41158    286.41158    31740.543    31740.543    2118.7851    2118.7851 
   50000   -17645.159   -17645.159   -17719.862   -17719.862    289.10685    289.10685    31789.541    31789.541   -1598.3547   -1598.3547 
Loop time of 11.5072 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.508 ns/day, 3.196 hours/ns, 86.902 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    | 11.117     | 11.117     | 11.117     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065865   | 0.065865   | 0.065865   |   0.0 |  0.57
Output  | 8.3906e-05 | 8.3906e-05 | 8.3906e-05 |   0.0 |  0.00
Modify  | 0.28716    | 0.28716    | 0.28716    |   0.0 |  2.50
Other   |            | 0.03743    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128202.0 ave      128202 max      128202 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128202
Ave neighs/atom = 64.101000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.892606330641, Press = -0.742522110578436
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -17645.159   -17645.159   -17719.862   -17719.862    289.10685    289.10685    31789.541    31789.541   -1598.3547   -1598.3547 
   51000   -17648.674   -17648.674   -17723.865   -17723.865    290.99705    290.99705    31764.227    31764.227   -54.058202   -54.058202 
Loop time of 11.471 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.532 ns/day, 3.186 hours/ns, 87.177 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    | 11.08      | 11.08      | 11.08      |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065966   | 0.065966   | 0.065966   |   0.0 |  0.58
Output  | 8.3323e-05 | 8.3323e-05 | 8.3323e-05 |   0.0 |  0.00
Modify  | 0.28693    | 0.28693    | 0.28693    |   0.0 |  2.50
Other   |            | 0.0375     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128204.0 ave      128204 max      128204 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128204
Ave neighs/atom = 64.102000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.858222281792, Press = -0.541501445146471
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -17648.674   -17648.674   -17723.865   -17723.865    290.99705    290.99705    31764.227    31764.227   -54.058202   -54.058202 
   52000   -17645.114   -17645.114   -17719.175   -17719.175    286.62027    286.62027    31773.443    31773.443    98.736114    98.736114 
Loop time of 11.4444 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.550 ns/day, 3.179 hours/ns, 87.379 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    | 11.054     | 11.054     | 11.054     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065825   | 0.065825   | 0.065825   |   0.0 |  0.58
Output  | 8.7069e-05 | 8.7069e-05 | 8.7069e-05 |   0.0 |  0.00
Modify  | 0.28694    | 0.28694    | 0.28694    |   0.0 |  2.51
Other   |            | 0.03747    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128180.0 ave      128180 max      128180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128180
Ave neighs/atom = 64.090000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.885100929921, Press = -1.33400151889583
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -17645.114   -17645.114   -17719.175   -17719.175    286.62027    286.62027    31773.443    31773.443    98.736114    98.736114 
   53000   -17647.974   -17647.974   -17724.169   -17724.169     294.8823     294.8823    31750.334    31750.334    990.38115    990.38115 
Loop time of 11.4771 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.528 ns/day, 3.188 hours/ns, 87.130 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    | 11.087     | 11.087     | 11.087     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065723   | 0.065723   | 0.065723   |   0.0 |  0.57
Output  | 8.5196e-05 | 8.5196e-05 | 8.5196e-05 |   0.0 |  0.00
Modify  | 0.28708    | 0.28708    | 0.28708    |   0.0 |  2.50
Other   |            | 0.03762    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128194.0 ave      128194 max      128194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128194
Ave neighs/atom = 64.097000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.923016706735, Press = -0.0929720473880611
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -17647.974   -17647.974   -17724.169   -17724.169     294.8823     294.8823    31750.334    31750.334    990.38115    990.38115 
   54000   -17643.453   -17643.453   -17720.574   -17720.574    298.46948    298.46948    31791.073    31791.073   -1886.6534   -1886.6534 
Loop time of 11.4868 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.522 ns/day, 3.191 hours/ns, 87.056 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    | 11.096     | 11.096     | 11.096     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065644   | 0.065644   | 0.065644   |   0.0 |  0.57
Output  | 8.5959e-05 | 8.5959e-05 | 8.5959e-05 |   0.0 |  0.00
Modify  | 0.28727    | 0.28727    | 0.28727    |   0.0 |  2.50
Other   |            | 0.03742    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128184.0 ave      128184 max      128184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128184
Ave neighs/atom = 64.092000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.970185239126, Press = -1.00513416331937
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -17643.453   -17643.453   -17720.574   -17720.574    298.46948    298.46948    31791.073    31791.073   -1886.6534   -1886.6534 
   55000    -17644.46    -17644.46   -17721.029   -17721.029    296.32829    296.32829    31768.068    31768.068    183.34737    183.34737 
Loop time of 11.4708 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.532 ns/day, 3.186 hours/ns, 87.178 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.08      | 11.08      | 11.08      |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065716   | 0.065716   | 0.065716   |   0.0 |  0.57
Output  | 0.00010958 | 0.00010958 | 0.00010958 |   0.0 |  0.00
Modify  | 0.28726    | 0.28726    | 0.28726    |   0.0 |  2.50
Other   |            | 0.03756    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128160.0 ave      128160 max      128160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128160
Ave neighs/atom = 64.080000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.971913042047, Press = -2.06595456054529
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000    -17644.46    -17644.46   -17721.029   -17721.029    296.32829    296.32829    31768.068    31768.068    183.34737    183.34737 
   56000   -17649.863   -17649.863   -17722.426   -17722.426      280.827      280.827    31740.557    31740.557    2389.5211    2389.5211 
Loop time of 11.4959 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.516 ns/day, 3.193 hours/ns, 86.988 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.106     | 11.106     | 11.106     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065518   | 0.065518   | 0.065518   |   0.0 |  0.57
Output  | 8.4545e-05 | 8.4545e-05 | 8.4545e-05 |   0.0 |  0.00
Modify  | 0.28703    | 0.28703    | 0.28703    |   0.0 |  2.50
Other   |            | 0.03752    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128226.0 ave      128226 max      128226 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128226
Ave neighs/atom = 64.113000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.92852495375, Press = 0.61104530054994
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -17649.863   -17649.863   -17722.426   -17722.426      280.827      280.827    31740.557    31740.557    2389.5211    2389.5211 
   57000   -17644.548   -17644.548   -17721.675   -17721.675    298.48698    298.48698    31790.298    31790.298   -1935.9898   -1935.9898 
Loop time of 11.5043 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.510 ns/day, 3.196 hours/ns, 86.924 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    | 11.114     | 11.114     | 11.114     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065543   | 0.065543   | 0.065543   |   0.0 |  0.57
Output  | 9.7991e-05 | 9.7991e-05 | 9.7991e-05 |   0.0 |  0.00
Modify  | 0.28685    | 0.28685    | 0.28685    |   0.0 |  2.49
Other   |            | 0.03755    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128182.0 ave      128182 max      128182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128182
Ave neighs/atom = 64.091000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.913802652093, Press = -0.834798303121594
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -17644.548   -17644.548   -17721.675   -17721.675    298.48698    298.48698    31790.298    31790.298   -1935.9898   -1935.9898 
   58000   -17647.207   -17647.207   -17723.995   -17723.995    297.17752    297.17752    31749.567    31749.567    1362.9231    1362.9231 
Loop time of 11.5065 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.509 ns/day, 3.196 hours/ns, 86.907 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.116     | 11.116     | 11.116     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065876   | 0.065876   | 0.065876   |   0.0 |  0.57
Output  | 8.4155e-05 | 8.4155e-05 | 8.4155e-05 |   0.0 |  0.00
Modify  | 0.28746    | 0.28746    | 0.28746    |   0.0 |  2.50
Other   |            | 0.03726    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128202.0 ave      128202 max      128202 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128202
Ave neighs/atom = 64.101000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.906842869054, Press = -0.4325404812176
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -17647.207   -17647.207   -17723.995   -17723.995    297.17752    297.17752    31749.567    31749.567    1362.9231    1362.9231 
   59000   -17642.556   -17642.556   -17720.331   -17720.331    300.99841    300.99841    31796.907    31796.907   -2320.3736   -2320.3736 
Loop time of 11.5112 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.506 ns/day, 3.198 hours/ns, 86.872 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    | 11.121     | 11.121     | 11.121     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065448   | 0.065448   | 0.065448   |   0.0 |  0.57
Output  | 8.4235e-05 | 8.4235e-05 | 8.4235e-05 |   0.0 |  0.00
Modify  | 0.28768    | 0.28768    | 0.28768    |   0.0 |  2.50
Other   |            | 0.03736    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128186.0 ave      128186 max      128186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128186
Ave neighs/atom = 64.093000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.954064839701, Press = -0.7137621358901
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -17642.556   -17642.556   -17720.331   -17720.331    300.99841    300.99841    31796.907    31796.907   -2320.3736   -2320.3736 
   60000   -17647.439   -17647.439   -17724.917   -17724.917    299.85019    299.85019    31739.798    31739.798    2097.8673    2097.8673 
Loop time of 11.4606 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.539 ns/day, 3.184 hours/ns, 87.255 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    | 11.071     | 11.071     | 11.071     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065647   | 0.065647   | 0.065647   |   0.0 |  0.57
Output  | 8.499e-05  | 8.499e-05  | 8.499e-05  |   0.0 |  0.00
Modify  | 0.28693    | 0.28693    | 0.28693    |   0.0 |  2.50
Other   |            | 0.03743    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128182.0 ave      128182 max      128182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128182
Ave neighs/atom = 64.091000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.985654028325, Press = -0.282592955657981
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -17647.439   -17647.439   -17724.917   -17724.917    299.85019    299.85019    31739.798    31739.798    2097.8673    2097.8673 
   61000   -17646.479   -17646.479   -17723.297   -17723.297    297.29348    297.29348    31752.103    31752.103    1324.4109    1324.4109 
Loop time of 11.4623 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.538 ns/day, 3.184 hours/ns, 87.242 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    | 11.072     | 11.072     | 11.072     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065978   | 0.065978   | 0.065978   |   0.0 |  0.58
Output  | 8.3894e-05 | 8.3894e-05 | 8.3894e-05 |   0.0 |  0.00
Modify  | 0.2867     | 0.2867     | 0.2867     |   0.0 |  2.50
Other   |            | 0.03744    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128132.0 ave      128132 max      128132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128132
Ave neighs/atom = 64.066000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.014116601843, Press = 0.430359717318345
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -17646.479   -17646.479   -17723.297   -17723.297    297.29348    297.29348    31752.103    31752.103    1324.4109    1324.4109 
   62000   -17645.507   -17645.507   -17721.075   -17721.075    292.45466    292.45466    31773.709    31773.709   -273.72957   -273.72957 
Loop time of 11.4908 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.519 ns/day, 3.192 hours/ns, 87.026 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    | 11.1       | 11.1       | 11.1       |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065791   | 0.065791   | 0.065791   |   0.0 |  0.57
Output  | 8.6166e-05 | 8.6166e-05 | 8.6166e-05 |   0.0 |  0.00
Modify  | 0.28734    | 0.28734    | 0.28734    |   0.0 |  2.50
Other   |            | 0.03751    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128210.0 ave      128210 max      128210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128210
Ave neighs/atom = 64.105000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.981880886579, Press = -0.791359515901408
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -17645.507   -17645.507   -17721.075   -17721.075    292.45466    292.45466    31773.709    31773.709   -273.72957   -273.72957 
   63000    -17651.28    -17651.28    -17724.76    -17724.76    284.37718    284.37718    31737.205    31737.205     2232.146     2232.146 
Loop time of 11.4588 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.540 ns/day, 3.183 hours/ns, 87.269 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    | 11.068     | 11.068     | 11.068     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065732   | 0.065732   | 0.065732   |   0.0 |  0.57
Output  | 8.4812e-05 | 8.4812e-05 | 8.4812e-05 |   0.0 |  0.00
Modify  | 0.28707    | 0.28707    | 0.28707    |   0.0 |  2.51
Other   |            | 0.03741    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128192.0 ave      128192 max      128192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128192
Ave neighs/atom = 64.096000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.951472915817, Press = -0.296568573213939
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000    -17651.28    -17651.28    -17724.76    -17724.76    284.37718    284.37718    31737.205    31737.205     2232.146     2232.146 
   64000   -17643.347   -17643.347   -17722.108   -17722.108    304.81575    304.81575    31763.163    31763.163     561.0304     561.0304 
Loop time of 11.4967 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.515 ns/day, 3.194 hours/ns, 86.981 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.106     | 11.106     | 11.106     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065775   | 0.065775   | 0.065775   |   0.0 |  0.57
Output  | 8.5444e-05 | 8.5444e-05 | 8.5444e-05 |   0.0 |  0.00
Modify  | 0.28716    | 0.28716    | 0.28716    |   0.0 |  2.50
Other   |            | 0.03741    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128186.0 ave      128186 max      128186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128186
Ave neighs/atom = 64.093000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.939725407254, Press = -0.202790857622869
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -17643.347   -17643.347   -17722.108   -17722.108    304.81575    304.81575    31763.163    31763.163     561.0304     561.0304 
   65000   -17645.363   -17645.363   -17721.635   -17721.635    295.18137    295.18137    31801.697    31801.697   -3111.6548   -3111.6548 
Loop time of 11.5203 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.500 ns/day, 3.200 hours/ns, 86.803 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.13      | 11.13      | 11.13      |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065748   | 0.065748   | 0.065748   |   0.0 |  0.57
Output  | 0.00010904 | 0.00010904 | 0.00010904 |   0.0 |  0.00
Modify  | 0.28699    | 0.28699    | 0.28699    |   0.0 |  2.49
Other   |            | 0.03742    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128176.0 ave      128176 max      128176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128176
Ave neighs/atom = 64.088000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.932374943277, Press = -0.585166848666604
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -17645.363   -17645.363   -17721.635   -17721.635    295.18137    295.18137    31801.697    31801.697   -3111.6548   -3111.6548 
   66000   -17650.254   -17650.254   -17723.425   -17723.425    283.17809    283.17809    31739.838    31739.838    2357.6375    2357.6375 
Loop time of 11.4643 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.536 ns/day, 3.185 hours/ns, 87.228 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    | 11.074     | 11.074     | 11.074     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065574   | 0.065574   | 0.065574   |   0.0 |  0.57
Output  | 8.3502e-05 | 8.3502e-05 | 8.3502e-05 |   0.0 |  0.00
Modify  | 0.2869     | 0.2869     | 0.2869     |   0.0 |  2.50
Other   |            | 0.03743    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128156.0 ave      128156 max      128156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128156
Ave neighs/atom = 64.078000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.914293068281, Press = -0.58847089784173
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -17650.254   -17650.254   -17723.425   -17723.425    283.17809    283.17809    31739.838    31739.838    2357.6375    2357.6375 
   67000   -17645.958   -17645.958   -17721.333   -17721.333    291.70779    291.70779     31786.14     31786.14   -1472.0997   -1472.0997 
Loop time of 11.4778 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.528 ns/day, 3.188 hours/ns, 87.124 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    | 11.087     | 11.087     | 11.087     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065791   | 0.065791   | 0.065791   |   0.0 |  0.57
Output  | 8.7124e-05 | 8.7124e-05 | 8.7124e-05 |   0.0 |  0.00
Modify  | 0.28707    | 0.28707    | 0.28707    |   0.0 |  2.50
Other   |            | 0.03745    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128212.0 ave      128212 max      128212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128212
Ave neighs/atom = 64.106000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.907258158292, Press = -0.455345254101068
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -17645.958   -17645.958   -17721.333   -17721.333    291.70779    291.70779     31786.14     31786.14   -1472.0997   -1472.0997 
   68000   -17647.534   -17647.534   -17721.486   -17721.486    286.20329    286.20329    31772.504    31772.504    -384.5404    -384.5404 
Loop time of 11.4789 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.527 ns/day, 3.189 hours/ns, 87.116 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    | 11.089     | 11.089     | 11.089     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065706   | 0.065706   | 0.065706   |   0.0 |  0.57
Output  | 8.4331e-05 | 8.4331e-05 | 8.4331e-05 |   0.0 |  0.00
Modify  | 0.28687    | 0.28687    | 0.28687    |   0.0 |  2.50
Other   |            | 0.03737    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128200.0 ave      128200 max      128200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128200
Ave neighs/atom = 64.100000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.937574434098, Press = -1.08251124863994
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -17647.534   -17647.534   -17721.486   -17721.486    286.20329    286.20329    31772.504    31772.504    -384.5404    -384.5404 
   69000    -17645.12    -17645.12   -17720.964   -17720.964    293.52595    293.52595    31758.967    31758.967    1015.2155    1015.2155 
Loop time of 11.4532 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.544 ns/day, 3.181 hours/ns, 87.312 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    | 11.062     | 11.062     | 11.062     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066461   | 0.066461   | 0.066461   |   0.0 |  0.58
Output  | 8.4586e-05 | 8.4586e-05 | 8.4586e-05 |   0.0 |  0.00
Modify  | 0.28705    | 0.28705    | 0.28705    |   0.0 |  2.51
Other   |            | 0.03746    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128194.0 ave      128194 max      128194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128194
Ave neighs/atom = 64.097000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.973090968606, Press = -0.276789363916467
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000    -17645.12    -17645.12   -17720.964   -17720.964    293.52595    293.52595    31758.967    31758.967    1015.2155    1015.2155 
   70000   -17648.238   -17648.238   -17723.016   -17723.016    289.39859    289.39859     31793.72     31793.72   -2727.6652   -2727.6652 
Loop time of 11.4845 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.523 ns/day, 3.190 hours/ns, 87.074 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    | 11.094     | 11.094     | 11.094     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065628   | 0.065628   | 0.065628   |   0.0 |  0.57
Output  | 8.5539e-05 | 8.5539e-05 | 8.5539e-05 |   0.0 |  0.00
Modify  | 0.28692    | 0.28692    | 0.28692    |   0.0 |  2.50
Other   |            | 0.03753    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128186.0 ave      128186 max      128186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128186
Ave neighs/atom = 64.093000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.010943528193, Press = -0.562716698686682
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -17648.238   -17648.238   -17723.016   -17723.016    289.39859    289.39859     31793.72     31793.72   -2727.6652   -2727.6652 
   71000   -17645.837   -17645.837   -17722.588   -17722.588    297.03358    297.03358    31741.535    31741.535    2285.3922    2285.3922 
Loop time of 11.4804 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.526 ns/day, 3.189 hours/ns, 87.105 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.09      | 11.09      | 11.09      |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065831   | 0.065831   | 0.065831   |   0.0 |  0.57
Output  | 8.3987e-05 | 8.3987e-05 | 8.3987e-05 |   0.0 |  0.00
Modify  | 0.28713    | 0.28713    | 0.28713    |   0.0 |  2.50
Other   |            | 0.03747    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128158.0 ave      128158 max      128158 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128158
Ave neighs/atom = 64.079000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.013860620868, Press = -0.571242601472646
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.74
  ghost atom cutoff = 6.74
  binsize = 3.37, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.74
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -17645.837   -17645.837   -17722.588   -17722.588    297.03358    297.03358    31741.535    31741.535    2285.3922    2285.3922 
   72000   -17647.722   -17647.722   -17722.621   -17722.621    289.86748    289.86748    31758.539    31758.539    566.37965    566.37965 
Loop time of 11.4719 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.531 ns/day, 3.187 hours/ns, 87.169 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    | 11.082     | 11.082     | 11.082     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065753   | 0.065753   | 0.065753   |   0.0 |  0.57
Output  | 9.4451e-05 | 9.4451e-05 | 9.4451e-05 |   0.0 |  0.00
Modify  | 0.28712    | 0.28712    | 0.28712    |   0.0 |  2.50
Other   |            | 0.03747    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128180.0 ave      128180 max      128180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128180
Ave neighs/atom = 64.090000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T293.15.out"  else  "print 'not_converged'  file output/vol_T293.15.out"
print '${V}'  file output/vol_T293.15.out
31768.0986224854

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0