# 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 3.917371556162834*${_u_distance}
variable latticeconst_converted equal 3.917371556162834*1
lattice       fcc  ${latticeconst_converted}
lattice       fcc  3.91737155616283
Lattice spacing in x,y,z = 3.9173716 3.9173716 3.9173716
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 (39.173716 39.173716 39.173716)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 4000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (39.173716 39.173716 39.173716)
  create_atoms CPU = 0.007 seconds

variable mass_converted equal 195.078*${_u_mass}
variable mass_converted equal 195.078*1

kim_interactions Pt

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

kim interactions Pt
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_001
pair_coeff * * Pt
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 195.078

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 60115.2000702143    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 60115.2000702143/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 60115.2000702143/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 60115.2000702143/(1*1*${_u_distance})
variable      V0_metal equal 60115.2000702143/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 60115.2000702143*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 60115.2000702143 Angstroms^3

# set the time step to 0.001 picoseconds
variable timestep_converted equal 0.001*${_u_time}
variable timestep_converted equal 0.001*1
timestep ${timestep_converted}
timestep 0.001

variable temp_converted equal 313.15*${_u_temperature}
variable temp_converted equal 313.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 313.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 1

# compute the time averages of pressure, temperature, and volume, respectively
# ignore the first 5000 timesteps
variable      etotal_metal equal etotal/${_u_energy}
variable      etotal_metal equal etotal/1
variable      pe_metal equal pe/${_u_energy}
variable      pe_metal equal pe/1
variable      T_metal equal temp/${_u_temperature}
variable      T_metal equal temp/1
variable      V_metal equal vol/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V_metal equal vol/(1*${_u_distance}*${_u_distance})
variable      V_metal equal vol/(1*1*${_u_distance})
variable      V_metal equal vol/(1*1*1)
variable      P_metal equal press/${_u_pressure}
variable      P_metal equal press/1
fix           avgmyTemp  all ave/time 5 20 100 v_T_metal  ave running start 5000
fix           avgmyPress all ave/time 5 20 100 v_P_metal ave running start 5000
fix           avgmyVol   all ave/time 5 20 100 v_V_metal   ave running start 5000

# extract fix quantities into variables so they can be used in if-else logic later.
variable      T equal f_avgmyTemp
variable      P equal f_avgmyPress
variable      V equal f_avgmyVol

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "313.15 - 0.2"
variable      T_up  equal  "313.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

# print to logfile every 1000 timesteps
thermo_style  custom step etotal v_etotal_metal pe v_pe_metal               temp v_T_metal vol v_V_metal press v_P_metal
thermo        1000

# Run a simulation for at most 2000*1000 timesteps. At each 1000th time step, check
# whether the temperature and pressure have converged. If yes, break.
label top
variable a loop 2000
run 1000

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

Your simulation uses code contributions which should be cited:

- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6

@Article{tadmor:elliott:2011,
 author = {E. B. Tadmor and R. S. Elliott and J. P. Sethna and R. E. Miller and C. A. Becker},
 title = {The potential of atomistic simulations and the {K}nowledgebase of {I}nteratomic {M}odels},
 journal = {{JOM}},
 year =    2011,
 volume =  63,
 number =  17,
 pages =   {17},
 doi =     {10.1007/s11837-011-0102-6}
}

- OpenKIM potential: https://openkim.org/cite/MO_280985530673_001#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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -22918.129   -22918.129       -23080       -23080       313.15       313.15      60115.2      60115.2     2876.087     2876.087 
    1000   -22748.002   -22748.002   -22919.059   -22919.059    330.92188    330.92188    60739.134    60739.134   -2735.3133   -2735.3133 
Loop time of 241.594 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.358 ns/day, 67.109 hours/ns, 4.139 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    | 240.61     | 240.61     | 240.61     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15658    | 0.15658    | 0.15658    |   0.0 |  0.06
Output  | 0.00021812 | 0.00021812 | 0.00021812 |   0.0 |  0.00
Modify  | 0.72611    | 0.72611    | 0.72611    |   0.0 |  0.30
Other   |            | 0.1015     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      344000.0 ave      344000 max      344000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 344000
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -22748.002   -22748.002   -22919.059   -22919.059    330.92188    330.92188    60739.134    60739.134   -2735.3133   -2735.3133 
    2000    -22756.51    -22756.51   -22923.269   -22923.269    322.60775    322.60775     60686.67     60686.67   -1067.3118   -1067.3118 
Loop time of 268.49 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.322 ns/day, 74.580 hours/ns, 3.725 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 267.41     | 267.41     | 267.41     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16699    | 0.16699    | 0.16699    |   0.0 |  0.06
Output  | 0.00027992 | 0.00027992 | 0.00027992 |   0.0 |  0.00
Modify  | 0.8078     | 0.8078     | 0.8078     |   0.0 |  0.30
Other   |            | 0.107      |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326622.0 ave      326622 max      326622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326622
Ave neighs/atom = 81.655500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000    -22756.51    -22756.51   -22923.269   -22923.269    322.60775    322.60775     60686.67     60686.67   -1067.3118   -1067.3118 
    3000   -22758.464   -22758.464   -22923.823   -22923.823    319.89695    319.89695    60691.549    60691.549   -1433.6639   -1433.6639 
Loop time of 251.485 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.344 ns/day, 69.857 hours/ns, 3.976 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    | 250.48     | 250.48     | 250.48     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15729    | 0.15729    | 0.15729    |   0.0 |  0.06
Output  | 0.00024674 | 0.00024674 | 0.00024674 |   0.0 |  0.00
Modify  | 0.74336    | 0.74336    | 0.74336    |   0.0 |  0.30
Other   |            | 0.103      |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326952.0 ave      326952 max      326952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326952
Ave neighs/atom = 81.738000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -22758.464   -22758.464   -22923.823   -22923.823    319.89695    319.89695    60691.549    60691.549   -1433.6639   -1433.6639 
    4000   -22753.324   -22753.324   -22920.512   -22920.512    323.43652    323.43652    60628.318    60628.318    2311.0192    2311.0192 
Loop time of 267.56 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.322 hours/ns, 3.737 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 266.48     | 266.48     | 266.48     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16686    | 0.16686    | 0.16686    |   0.0 |  0.06
Output  | 0.00028284 | 0.00028284 | 0.00028284 |   0.0 |  0.00
Modify  | 0.80675    | 0.80675    | 0.80675    |   0.0 |  0.30
Other   |            | 0.1058     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326816.0 ave      326816 max      326816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326816
Ave neighs/atom = 81.704000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -22753.324   -22753.324   -22920.512   -22920.512    323.43652    323.43652    60628.318    60628.318    2311.0192    2311.0192 
    5000   -22758.552   -22758.552   -22917.089   -22917.089    306.70073    306.70073    60714.536    60714.536   -1675.9861   -1675.9861 
Loop time of 264.53 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.327 ns/day, 73.481 hours/ns, 3.780 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.47     | 263.47     | 263.47     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16451    | 0.16451    | 0.16451    |   0.0 |  0.06
Output  | 0.00017468 | 0.00017468 | 0.00017468 |   0.0 |  0.00
Modify  | 0.79463    | 0.79463    | 0.79463    |   0.0 |  0.30
Other   |            | 0.1056     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327302.0 ave      327302 max      327302 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327302
Ave neighs/atom = 81.825500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 316.113307262619, Press = 504.948587215368
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -22758.552   -22758.552   -22917.089   -22917.089    306.70073    306.70073    60714.536    60714.536   -1675.9861   -1675.9861 
    6000   -22757.807   -22757.807   -22921.574   -22921.574    316.81813    316.81813     60618.93     60618.93    2344.1853    2344.1853 
Loop time of 267.24 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.233 hours/ns, 3.742 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 266.13     | 266.13     | 266.13     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16543    | 0.16543    | 0.16543    |   0.0 |  0.06
Output  | 0.00029359 | 0.00029359 | 0.00029359 |   0.0 |  0.00
Modify  | 0.83472    | 0.83472    | 0.83472    |   0.0 |  0.31
Other   |            | 0.1073     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326680.0 ave      326680 max      326680 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326680
Ave neighs/atom = 81.670000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.585576201284, Press = 42.2740324569896
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -22757.807   -22757.807   -22921.574   -22921.574    316.81813    316.81813     60618.93     60618.93    2344.1853    2344.1853 
    7000   -22754.957   -22754.957    -22917.17    -22917.17     313.8125     313.8125    60693.822    60693.822   -615.57309   -615.57309 
Loop time of 267.283 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.245 hours/ns, 3.741 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 266.18     | 266.18     | 266.18     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16609    | 0.16609    | 0.16609    |   0.0 |  0.06
Output  | 0.00024657 | 0.00024657 | 0.00024657 |   0.0 |  0.00
Modify  | 0.83015    | 0.83015    | 0.83015    |   0.0 |  0.31
Other   |            | 0.1056     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327400.0 ave      327400 max      327400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327400
Ave neighs/atom = 81.850000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.987105927339, Press = 10.0552581502516
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -22754.957   -22754.957    -22917.17    -22917.17     313.8125     313.8125    60693.822    60693.822   -615.57309   -615.57309 
    8000   -22757.677   -22757.677   -22919.102   -22919.102    312.28789    312.28789    60670.182    60670.182    333.63483    333.63483 
Loop time of 266.887 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.324 ns/day, 74.135 hours/ns, 3.747 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 265.78     | 265.78     | 265.78     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1655     | 0.1655     | 0.1655     |   0.0 |  0.06
Output  | 0.00021469 | 0.00021469 | 0.00021469 |   0.0 |  0.00
Modify  | 0.83194    | 0.83194    | 0.83194    |   0.0 |  0.31
Other   |            | 0.1069     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326784.0 ave      326784 max      326784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326784
Ave neighs/atom = 81.696000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.31144335872, Press = 9.1610949359865
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -22757.677   -22757.677   -22919.102   -22919.102    312.28789    312.28789    60670.182    60670.182    333.63483    333.63483 
    9000   -22757.264   -22757.264   -22920.489   -22920.489    315.76862    315.76862    60654.296    60654.296    802.71023    802.71023 
Loop time of 258.923 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.334 ns/day, 71.923 hours/ns, 3.862 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 257.86     | 257.86     | 257.86     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16136    | 0.16136    | 0.16136    |   0.0 |  0.06
Output  | 0.00017679 | 0.00017679 | 0.00017679 |   0.0 |  0.00
Modify  | 0.79341    | 0.79341    | 0.79341    |   0.0 |  0.31
Other   |            | 0.104      |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327034.0 ave      327034 max      327034 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327034
Ave neighs/atom = 81.758500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.150127530123, Press = 13.7274191650133
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -22757.264   -22757.264   -22920.489   -22920.489    315.76862    315.76862    60654.296    60654.296    802.71023    802.71023 
   10000   -22760.123   -22760.123   -22919.311   -22919.311     307.9603     307.9603     60659.84     60659.84    654.20644    654.20644 
Loop time of 260.756 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.331 ns/day, 72.432 hours/ns, 3.835 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 259.69     | 259.69     | 259.69     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16056    | 0.16056    | 0.16056    |   0.0 |  0.06
Output  | 0.00022731 | 0.00022731 | 0.00022731 |   0.0 |  0.00
Modify  | 0.80035    | 0.80035    | 0.80035    |   0.0 |  0.31
Other   |            | 0.104      |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327072.0 ave      327072 max      327072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327072
Ave neighs/atom = 81.768000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.074920426368, Press = 0.317871321954588
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -22760.123   -22760.123   -22919.311   -22919.311     307.9603     307.9603     60659.84     60659.84    654.20644    654.20644 
   11000   -22761.685   -22761.685   -22921.095   -22921.095    308.38765    308.38765    60709.437    60709.437   -1823.5142   -1823.5142 
Loop time of 267.046 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.324 ns/day, 74.180 hours/ns, 3.745 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 265.95     | 265.95     | 265.95     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1643     | 0.1643     | 0.1643     |   0.0 |  0.06
Output  | 0.00021646 | 0.00021646 | 0.00021646 |   0.0 |  0.00
Modify  | 0.83026    | 0.83026    | 0.83026    |   0.0 |  0.31
Other   |            | 0.1058     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327094.0 ave      327094 max      327094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327094
Ave neighs/atom = 81.773500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.730072242841, Press = 2.33237807168114
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -22761.685   -22761.685   -22921.095   -22921.095    308.38765    308.38765    60709.437    60709.437   -1823.5142   -1823.5142 
   12000   -22756.204   -22756.204   -22918.315   -22918.315    313.61382    313.61382    60680.396    60680.396     -42.0482     -42.0482 
Loop time of 245.375 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.352 ns/day, 68.160 hours/ns, 4.075 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 244.4      | 244.4      | 244.4      |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15295    | 0.15295    | 0.15295    |   0.0 |  0.06
Output  | 0.00021522 | 0.00021522 | 0.00021522 |   0.0 |  0.00
Modify  | 0.7285     | 0.7285     | 0.7285     |   0.0 |  0.30
Other   |            | 0.0979     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326772.0 ave      326772 max      326772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326772
Ave neighs/atom = 81.693000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.686345656874, Press = 5.8190648041248
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -22756.204   -22756.204   -22918.315   -22918.315    313.61382    313.61382    60680.396    60680.396     -42.0482     -42.0482 
   13000   -22755.564   -22755.564   -22920.529   -22920.529    319.13552    319.13552    60682.718    60682.718   -423.84404   -423.84404 
Loop time of 248.815 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.347 ns/day, 69.115 hours/ns, 4.019 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    | 247.81     | 247.81     | 247.81     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15577    | 0.15577    | 0.15577    |   0.0 |  0.06
Output  | 0.00017919 | 0.00017919 | 0.00017919 |   0.0 |  0.00
Modify  | 0.74395    | 0.74395    | 0.74395    |   0.0 |  0.30
Other   |            | 0.1013     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326898.0 ave      326898 max      326898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326898
Ave neighs/atom = 81.724500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.543748290974, Press = 7.32142026724405
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -22755.564   -22755.564   -22920.529   -22920.529    319.13552    319.13552    60682.718    60682.718   -423.84404   -423.84404 
   14000   -22758.134   -22758.134    -22922.44    -22922.44    317.86057    317.86057    60657.048    60657.048    430.16081    430.16081 
Loop time of 232.02 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.372 ns/day, 64.450 hours/ns, 4.310 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 231.1      | 231.1      | 231.1      |   0.0 | 99.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14823    | 0.14823    | 0.14823    |   0.0 |  0.06
Output  | 0.00017939 | 0.00017939 | 0.00017939 |   0.0 |  0.00
Modify  | 0.67315    | 0.67315    | 0.67315    |   0.0 |  0.29
Other   |            | 0.09441    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327080.0 ave      327080 max      327080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327080
Ave neighs/atom = 81.770000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.817788928302, Press = 3.15497484856763
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -22758.134   -22758.134    -22922.44    -22922.44    317.86057    317.86057    60657.048    60657.048    430.16081    430.16081 
   15000   -22753.448   -22753.448   -22914.993   -22914.993    312.52107    312.52107    60685.747    60685.747    152.21817    152.21817 
Loop time of 242.818 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.356 ns/day, 67.450 hours/ns, 4.118 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 241.84     | 241.84     | 241.84     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15625    | 0.15625    | 0.15625    |   0.0 |  0.06
Output  | 0.00049424 | 0.00049424 | 0.00049424 |   0.0 |  0.00
Modify  | 0.72711    | 0.72711    | 0.72711    |   0.0 |  0.30
Other   |            | 0.09847    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327120.0 ave      327120 max      327120 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327120
Ave neighs/atom = 81.780000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.886876653355, Press = 2.49620898944796
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -22753.448   -22753.448   -22914.993   -22914.993    312.52107    312.52107    60685.747    60685.747    152.21817    152.21817 
   16000   -22756.939   -22756.939   -22916.867   -22916.867    309.39214    309.39214    60665.752    60665.752    743.68948    743.68948 
Loop time of 260.331 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.332 ns/day, 72.314 hours/ns, 3.841 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 259.25     | 259.25     | 259.25     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16417    | 0.16417    | 0.16417    |   0.0 |  0.06
Output  | 0.00024059 | 0.00024059 | 0.00024059 |   0.0 |  0.00
Modify  | 0.80877    | 0.80877    | 0.80877    |   0.0 |  0.31
Other   |            | 0.1053     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326982.0 ave      326982 max      326982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326982
Ave neighs/atom = 81.745500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.046625158252, Press = 2.66838904480405
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -22756.939   -22756.939   -22916.867   -22916.867    309.39214    309.39214    60665.752    60665.752    743.68948    743.68948 
   17000   -22760.329   -22760.329   -22919.642   -22919.642    308.20097    308.20097    60647.805    60647.805    1156.9554    1156.9554 
Loop time of 265.6 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.325 ns/day, 73.778 hours/ns, 3.765 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 264.49     | 264.49     | 264.49     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16708    | 0.16708    | 0.16708    |   0.0 |  0.06
Output  | 0.00017839 | 0.00017839 | 0.00017839 |   0.0 |  0.00
Modify  | 0.8324     | 0.8324     | 0.8324     |   0.0 |  0.31
Other   |            | 0.1079     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326918.0 ave      326918 max      326918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326918
Ave neighs/atom = 81.729500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.931847545114, Press = 4.33771865827549
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -22760.329   -22760.329   -22919.642   -22919.642    308.20097    308.20097    60647.805    60647.805    1156.9554    1156.9554 
   18000   -22755.916   -22755.916   -22916.856   -22916.856    311.34962    311.34962    60651.239    60651.239     1438.067     1438.067 
Loop time of 237.626 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.364 ns/day, 66.007 hours/ns, 4.208 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 236.68     | 236.68     | 236.68     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1515     | 0.1515     | 0.1515     |   0.0 |  0.06
Output  | 0.00017647 | 0.00017647 | 0.00017647 |   0.0 |  0.00
Modify  | 0.7022     | 0.7022     | 0.7022     |   0.0 |  0.30
Other   |            | 0.09669    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327032.0 ave      327032 max      327032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327032
Ave neighs/atom = 81.758000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.924268006191, Press = 0.989333586372035
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -22755.916   -22755.916   -22916.856   -22916.856    311.34962    311.34962    60651.239    60651.239     1438.067     1438.067 
   19000   -22757.502   -22757.502   -22919.683   -22919.683    313.75005    313.75005    60748.945    60748.945   -3426.3354   -3426.3354 
Loop time of 263.59 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.328 ns/day, 73.219 hours/ns, 3.794 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 262.5      | 262.5      | 262.5      |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16506    | 0.16506    | 0.16506    |   0.0 |  0.06
Output  | 0.00017673 | 0.00017673 | 0.00017673 |   0.0 |  0.00
Modify  | 0.8199     | 0.8199     | 0.8199     |   0.0 |  0.31
Other   |            | 0.1055     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327118.0 ave      327118 max      327118 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327118
Ave neighs/atom = 81.779500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.968845223971, Press = 2.7641383052187
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -22757.502   -22757.502   -22919.683   -22919.683    313.75005    313.75005    60748.945    60748.945   -3426.3354   -3426.3354 
   20000   -22758.164   -22758.164   -22919.961   -22919.961    313.00829    313.00829    60638.937    60638.937     1714.697     1714.697 
Loop time of 260.425 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.332 ns/day, 72.340 hours/ns, 3.840 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    | 259.35     | 259.35     | 259.35     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16192    | 0.16192    | 0.16192    |   0.0 |  0.06
Output  | 0.00017822 | 0.00017822 | 0.00017822 |   0.0 |  0.00
Modify  | 0.80903    | 0.80903    | 0.80903    |   0.0 |  0.31
Other   |            | 0.1071     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326648.0 ave      326648 max      326648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326648
Ave neighs/atom = 81.662000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.900676845299, Press = 1.64443852751772
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -22758.164   -22758.164   -22919.961   -22919.961    313.00829    313.00829    60638.937    60638.937     1714.697     1714.697 
   21000   -22758.954   -22758.954   -22920.637   -22920.637     312.7857     312.7857    60640.477    60640.477    1447.4379    1447.4379 
Loop time of 258.802 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.334 ns/day, 71.889 hours/ns, 3.864 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 257.73     | 257.73     | 257.73     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16372    | 0.16372    | 0.16372    |   0.0 |  0.06
Output  | 0.00017722 | 0.00017722 | 0.00017722 |   0.0 |  0.00
Modify  | 0.80462    | 0.80462    | 0.80462    |   0.0 |  0.31
Other   |            | 0.1046     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327188.0 ave      327188 max      327188 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327188
Ave neighs/atom = 81.797000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.006632678658, Press = 2.87219162646198
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -22758.954   -22758.954   -22920.637   -22920.637     312.7857     312.7857    60640.477    60640.477    1447.4379    1447.4379 
   22000   -22752.971   -22752.971   -22916.447   -22916.447    316.25548    316.25548    60631.806    60631.806    2519.0274    2519.0274 
Loop time of 238.055 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.363 ns/day, 66.126 hours/ns, 4.201 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 237.1      | 237.1      | 237.1      |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1524     | 0.1524     | 0.1524     |   0.0 |  0.06
Output  | 0.00021699 | 0.00021699 | 0.00021699 |   0.0 |  0.00
Modify  | 0.70243    | 0.70243    | 0.70243    |   0.0 |  0.30
Other   |            | 0.09755    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327146.0 ave      327146 max      327146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327146
Ave neighs/atom = 81.786500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.068270118982, Press = 2.90184875005639
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -22752.971   -22752.971   -22916.447   -22916.447    316.25548    316.25548    60631.806    60631.806    2519.0274    2519.0274 
   23000   -22757.692   -22757.692   -22918.961   -22918.961    311.98554    311.98554    60691.549    60691.549   -667.13504   -667.13504 
Loop time of 230.486 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.375 ns/day, 64.024 hours/ns, 4.339 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 229.57     | 229.57     | 229.57     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14884    | 0.14884    | 0.14884    |   0.0 |  0.06
Output  | 0.00017972 | 0.00017972 | 0.00017972 |   0.0 |  0.00
Modify  | 0.67216    | 0.67216    | 0.67216    |   0.0 |  0.29
Other   |            | 0.09455    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327182.0 ave      327182 max      327182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327182
Ave neighs/atom = 81.795500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.080634301071, Press = 1.04741856501838
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -22757.692   -22757.692   -22918.961   -22918.961    311.98554    311.98554    60691.549    60691.549   -667.13504   -667.13504 
   24000   -22748.447   -22748.447   -22914.355   -22914.355    320.95921    320.95921    60730.848    60730.848   -1895.7391   -1895.7391 
Loop time of 229.526 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.376 ns/day, 63.757 hours/ns, 4.357 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 228.62     | 228.62     | 228.62     |   0.0 | 99.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14784    | 0.14784    | 0.14784    |   0.0 |  0.06
Output  | 0.00020917 | 0.00020917 | 0.00020917 |   0.0 |  0.00
Modify  | 0.66331    | 0.66331    | 0.66331    |   0.0 |  0.29
Other   |            | 0.09358    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326950.0 ave      326950 max      326950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326950
Ave neighs/atom = 81.737500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.172353928283, Press = 0.577968748359012
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -22748.447   -22748.447   -22914.355   -22914.355    320.95921    320.95921    60730.848    60730.848   -1895.7391   -1895.7391 
   25000   -22758.422   -22758.422   -22917.774   -22917.774    308.27789    308.27789    60631.139    60631.139    2248.1888    2248.1888 
Loop time of 229.327 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.377 ns/day, 63.702 hours/ns, 4.361 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 228.42     | 228.42     | 228.42     |   0.0 | 99.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14768    | 0.14768    | 0.14768    |   0.0 |  0.06
Output  | 0.00017848 | 0.00017848 | 0.00017848 |   0.0 |  0.00
Modify  | 0.66277    | 0.66277    | 0.66277    |   0.0 |  0.29
Other   |            | 0.09325    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326632.0 ave      326632 max      326632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326632
Ave neighs/atom = 81.658000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.241629007313, Press = 2.2850640214788
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -22758.422   -22758.422   -22917.774   -22917.774    308.27789    308.27789    60631.139    60631.139    2248.1888    2248.1888 
   26000   -22751.159   -22751.159   -22916.843   -22916.843    320.52767    320.52767    60699.515    60699.515   -617.29495   -617.29495 
Loop time of 242.946 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.356 ns/day, 67.485 hours/ns, 4.116 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    | 241.97     | 241.97     | 241.97     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15475    | 0.15475    | 0.15475    |   0.0 |  0.06
Output  | 0.00025082 | 0.00025082 | 0.00025082 |   0.0 |  0.00
Modify  | 0.72289    | 0.72289    | 0.72289    |   0.0 |  0.30
Other   |            | 0.09884    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327106.0 ave      327106 max      327106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327106
Ave neighs/atom = 81.776500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.280381429848, Press = -0.475214342422747
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -22751.159   -22751.159   -22916.843   -22916.843    320.52767    320.52767    60699.515    60699.515   -617.29495   -617.29495 
   27000     -22760.2     -22760.2   -22922.699   -22922.699    314.36437    314.36437     60666.44     60666.44   -11.425008   -11.425008 
Loop time of 269.98 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.320 ns/day, 74.995 hours/ns, 3.704 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 268.87     | 268.87     | 268.87     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16796    | 0.16796    | 0.16796    |   0.0 |  0.06
Output  | 0.00018286 | 0.00018286 | 0.00018286 |   0.0 |  0.00
Modify  | 0.83843    | 0.83843    | 0.83843    |   0.0 |  0.31
Other   |            | 0.1074     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326814.0 ave      326814 max      326814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326814
Ave neighs/atom = 81.703500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.354775648273, Press = 2.76150672498359
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000     -22760.2     -22760.2   -22922.699   -22922.699    314.36437    314.36437     60666.44     60666.44   -11.425008   -11.425008 
   28000   -22756.587   -22756.587   -22917.912   -22917.912    312.09533    312.09533    60677.952    60677.952    -34.97499    -34.97499 
Loop time of 267.549 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.319 hours/ns, 3.738 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 266.45     | 266.45     | 266.45     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16701    | 0.16701    | 0.16701    |   0.0 |  0.06
Output  | 0.00017695 | 0.00017695 | 0.00017695 |   0.0 |  0.00
Modify  | 0.82579    | 0.82579    | 0.82579    |   0.0 |  0.31
Other   |            | 0.1069     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327070.0 ave      327070 max      327070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327070
Ave neighs/atom = 81.767500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.341185859322, Press = 1.20319180588356
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -22756.587   -22756.587   -22917.912   -22917.912    312.09533    312.09533    60677.952    60677.952    -34.97499    -34.97499 
   29000    -22760.92    -22760.92   -22919.153   -22919.153     306.1126     306.1126    60667.276    60667.276    277.77399    277.77399 
Loop time of 235.366 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.367 ns/day, 65.379 hours/ns, 4.249 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 234.43     | 234.43     | 234.43     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14843    | 0.14843    | 0.14843    |   0.0 |  0.06
Output  | 0.0002182  | 0.0002182  | 0.0002182  |   0.0 |  0.00
Modify  | 0.68984    | 0.68984    | 0.68984    |   0.0 |  0.29
Other   |            | 0.09644    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327016.0 ave      327016 max      327016 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327016
Ave neighs/atom = 81.754000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.300693145733, Press = 0.368825018392433
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000    -22760.92    -22760.92   -22919.153   -22919.153     306.1126     306.1126    60667.276    60667.276    277.77399    277.77399 
   30000   -22753.832   -22753.832   -22916.154   -22916.154    314.02334    314.02334    60623.359    60623.359    2793.1725    2793.1725 
Loop time of 237.918 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.363 ns/day, 66.088 hours/ns, 4.203 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 236.97     | 236.97     | 236.97     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1472     | 0.1472     | 0.1472     |   0.0 |  0.06
Output  | 0.00022972 | 0.00022972 | 0.00022972 |   0.0 |  0.00
Modify  | 0.70225    | 0.70225    | 0.70225    |   0.0 |  0.30
Other   |            | 0.09881    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326958.0 ave      326958 max      326958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326958
Ave neighs/atom = 81.739500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.363988561137, Press = 2.91017819185582
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -22753.832   -22753.832   -22916.154   -22916.154    314.02334    314.02334    60623.359    60623.359    2793.1725    2793.1725 
   31000   -22757.182   -22757.182    -22919.62    -22919.62    314.24754    314.24754    60690.254    60690.254   -756.92573   -756.92573 
Loop time of 242.114 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.357 ns/day, 67.254 hours/ns, 4.130 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    | 241.14     | 241.14     | 241.14     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15308    | 0.15308    | 0.15308    |   0.0 |  0.06
Output  | 0.0001778  | 0.0001778  | 0.0001778  |   0.0 |  0.00
Modify  | 0.7191     | 0.7191     | 0.7191     |   0.0 |  0.30
Other   |            | 0.09825    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327160.0 ave      327160 max      327160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327160
Ave neighs/atom = 81.790000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.380077557682, Press = 0.746392754415706
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -22757.182   -22757.182    -22919.62    -22919.62    314.24754    314.24754    60690.254    60690.254   -756.92573   -756.92573 
   32000   -22757.873   -22757.873   -22922.323   -22922.323    318.14047    318.14047    60681.532    60681.532   -630.46673   -630.46673 
Loop time of 246.936 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.350 ns/day, 68.593 hours/ns, 4.050 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 245.94     | 245.94     | 245.94     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15323    | 0.15323    | 0.15323    |   0.0 |  0.06
Output  | 0.00024946 | 0.00024946 | 0.00024946 |   0.0 |  0.00
Modify  | 0.74043    | 0.74043    | 0.74043    |   0.0 |  0.30
Other   |            | 0.1011     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326834.0 ave      326834 max      326834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326834
Ave neighs/atom = 81.708500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.425070550402, Press = 1.96346162165916
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -22757.873   -22757.873   -22922.323   -22922.323    318.14047    318.14047    60681.532    60681.532   -630.46673   -630.46673 
   33000   -22755.715   -22755.715   -22919.269   -22919.269     316.4058     316.4058    60659.635    60659.635     808.6116     808.6116 
Loop time of 251.37 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.344 ns/day, 69.825 hours/ns, 3.978 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 250.34     | 250.34     | 250.34     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15851    | 0.15851    | 0.15851    |   0.0 |  0.06
Output  | 0.00017844 | 0.00017844 | 0.00017844 |   0.0 |  0.00
Modify  | 0.76548    | 0.76548    | 0.76548    |   0.0 |  0.30
Other   |            | 0.102      |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326830.0 ave      326830 max      326830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326830
Ave neighs/atom = 81.707500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.45807573973, Press = 0.0434097405467115
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -22755.715   -22755.715   -22919.269   -22919.269     316.4058     316.4058    60659.635    60659.635     808.6116     808.6116 
   34000   -22758.163   -22758.163     -22918.8     -22918.8     310.7628     310.7628    60714.289    60714.289   -1770.5921   -1770.5921 
Loop time of 252.09 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.343 ns/day, 70.025 hours/ns, 3.967 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 251.07     | 251.07     | 251.07     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15904    | 0.15904    | 0.15904    |   0.0 |  0.06
Output  | 0.0001768  | 0.0001768  | 0.0001768  |   0.0 |  0.00
Modify  | 0.76046    | 0.76046    | 0.76046    |   0.0 |  0.30
Other   |            | 0.1011     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327086.0 ave      327086 max      327086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327086
Ave neighs/atom = 81.771500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.4279503476, Press = 2.45890828563749
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -22758.163   -22758.163     -22918.8     -22918.8     310.7628     310.7628    60714.289    60714.289   -1770.5921   -1770.5921 
   35000   -22755.816   -22755.816   -22919.811   -22919.811    317.25987    317.25987     60643.79     60643.79    1542.9826    1542.9826 
Loop time of 249.828 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.346 ns/day, 69.397 hours/ns, 4.003 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 248.81     | 248.81     | 248.81     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15663    | 0.15663    | 0.15663    |   0.0 |  0.06
Output  | 0.00022093 | 0.00022093 | 0.00022093 |   0.0 |  0.00
Modify  | 0.75575    | 0.75575    | 0.75575    |   0.0 |  0.30
Other   |            | 0.1013     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326620.0 ave      326620 max      326620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326620
Ave neighs/atom = 81.655000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.473976887491, Press = 1.97964014580997
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -22755.816   -22755.816   -22919.811   -22919.811    317.25987    317.25987     60643.79     60643.79    1542.9826    1542.9826 
   36000   -22759.698   -22759.698    -22918.76    -22918.76    307.71545    307.71545    60683.868    60683.868   -348.49818   -348.49818 
Loop time of 265.386 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.326 ns/day, 73.718 hours/ns, 3.768 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 264.28     | 264.28     | 264.28     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16618    | 0.16618    | 0.16618    |   0.0 |  0.06
Output  | 0.00024867 | 0.00024867 | 0.00024867 |   0.0 |  0.00
Modify  | 0.83529    | 0.83529    | 0.83529    |   0.0 |  0.31
Other   |            | 0.1084     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327198.0 ave      327198 max      327198 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327198
Ave neighs/atom = 81.799500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.503503116352, Press = -0.344911210789881
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -22759.698   -22759.698    -22918.76    -22918.76    307.71545    307.71545    60683.868    60683.868   -348.49818   -348.49818 
   37000   -22757.862   -22757.862   -22922.014   -22922.014    317.56164    317.56164    60677.505    60677.505   -485.86182   -485.86182 
Loop time of 265.762 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.325 ns/day, 73.823 hours/ns, 3.763 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 264.66     | 264.66     | 264.66     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16558    | 0.16558    | 0.16558    |   0.0 |  0.06
Output  | 0.00026862 | 0.00026862 | 0.00026862 |   0.0 |  0.00
Modify  | 0.83316    | 0.83316    | 0.83316    |   0.0 |  0.31
Other   |            | 0.107      |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326894.0 ave      326894 max      326894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326894
Ave neighs/atom = 81.723500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.507320231367, Press = 0.617001725095066
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -22757.862   -22757.862   -22922.014   -22922.014    317.56164    317.56164    60677.505    60677.505   -485.86182   -485.86182 
   38000   -22754.969   -22754.969    -22918.37    -22918.37    316.11139    316.11139     60710.75     60710.75   -1475.9172   -1475.9172 
Loop time of 266.704 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.324 ns/day, 74.085 hours/ns, 3.749 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 265.59     | 265.59     | 265.59     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16585    | 0.16585    | 0.16585    |   0.0 |  0.06
Output  | 0.00017703 | 0.00017703 | 0.00017703 |   0.0 |  0.00
Modify  | 0.83677    | 0.83677    | 0.83677    |   0.0 |  0.31
Other   |            | 0.1067     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327186.0 ave      327186 max      327186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327186
Ave neighs/atom = 81.796500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.481218492959, Press = -0.0494702321268309
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -22754.969   -22754.969    -22918.37    -22918.37    316.11139    316.11139     60710.75     60710.75   -1475.9172   -1475.9172 
   39000   -22756.466   -22756.466   -22917.046   -22917.046    310.65416    310.65416    60665.601    60665.601     732.6111     732.6111 
Loop time of 266.571 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.324 ns/day, 74.048 hours/ns, 3.751 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 265.46     | 265.46     | 265.46     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16572    | 0.16572    | 0.16572    |   0.0 |  0.06
Output  | 0.00022926 | 0.00022926 | 0.00022926 |   0.0 |  0.00
Modify  | 0.83411    | 0.83411    | 0.83411    |   0.0 |  0.31
Other   |            | 0.1069     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326780.0 ave      326780 max      326780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326780
Ave neighs/atom = 81.695000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.450387054994, Press = 2.74170513111487
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -22756.466   -22756.466   -22917.046   -22917.046    310.65416    310.65416    60665.601    60665.601     732.6111     732.6111 
   40000   -22758.518   -22758.518   -22921.269   -22921.269    314.85363    314.85363    60640.349    60640.349     1328.689     1328.689 
Loop time of 267 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.324 ns/day, 74.167 hours/ns, 3.745 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 265.89     | 265.89     | 265.89     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1658     | 0.1658     | 0.1658     |   0.0 |  0.06
Output  | 0.0002134  | 0.0002134  | 0.0002134  |   0.0 |  0.00
Modify  | 0.83355    | 0.83355    | 0.83355    |   0.0 |  0.31
Other   |            | 0.107      |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327066.0 ave      327066 max      327066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327066
Ave neighs/atom = 81.766500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.43520163835, Press = -0.587106404472625
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -22758.518   -22758.518   -22921.269   -22921.269    314.85363    314.85363    60640.349    60640.349     1328.689     1328.689 
   41000   -22751.112   -22751.112   -22914.528   -22914.528    316.13806    316.13806    60691.905    60691.905   -54.353439   -54.353439 
Loop time of 267.232 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.231 hours/ns, 3.742 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 266.11     | 266.11     | 266.11     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16798    | 0.16798    | 0.16798    |   0.0 |  0.06
Output  | 0.0027903  | 0.0027903  | 0.0027903  |   0.0 |  0.00
Modify  | 0.83925    | 0.83925    | 0.83925    |   0.0 |  0.31
Other   |            | 0.107      |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327174.0 ave      327174 max      327174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327174
Ave neighs/atom = 81.793500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.484046898957, Press = 0.530307148399228
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -22751.112   -22751.112   -22914.528   -22914.528    316.13806    316.13806    60691.905    60691.905   -54.353439   -54.353439 
   42000    -22758.84    -22758.84   -22920.233   -22920.233    312.22603    312.22603    60698.951    60698.951   -1282.8828   -1282.8828 
Loop time of 252.701 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.342 ns/day, 70.195 hours/ns, 3.957 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 251.67     | 251.67     | 251.67     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15805    | 0.15805    | 0.15805    |   0.0 |  0.06
Output  | 0.000286   | 0.000286   | 0.000286   |   0.0 |  0.00
Modify  | 0.76975    | 0.76975    | 0.76975    |   0.0 |  0.30
Other   |            | 0.1022     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326882.0 ave      326882 max      326882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326882
Ave neighs/atom = 81.720500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.50144330192, Press = 0.0742565158806706
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000    -22758.84    -22758.84   -22920.233   -22920.233    312.22603    312.22603    60698.951    60698.951   -1282.8828   -1282.8828 
   43000   -22755.134   -22755.134   -22917.404   -22917.404    313.92123    313.92123    60674.357    60674.357    256.51001    256.51001 
Loop time of 256.835 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.336 ns/day, 71.343 hours/ns, 3.894 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 255.78     | 255.78     | 255.78     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15973    | 0.15973    | 0.15973    |   0.0 |  0.06
Output  | 0.0001777  | 0.0001777  | 0.0001777  |   0.0 |  0.00
Modify  | 0.79124    | 0.79124    | 0.79124    |   0.0 |  0.31
Other   |            | 0.1043     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326824.0 ave      326824 max      326824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326824
Ave neighs/atom = 81.706000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.49642842477, Press = 2.16036878081338
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -22755.134   -22755.134   -22917.404   -22917.404    313.92123    313.92123    60674.357    60674.357    256.51001    256.51001 
   44000   -22759.012   -22759.012   -22918.258   -22918.258    308.07267    308.07267    60632.332    60632.332    2141.1601    2141.1601 
Loop time of 239.809 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.360 ns/day, 66.614 hours/ns, 4.170 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 238.85     | 238.85     | 238.85     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14861    | 0.14861    | 0.14861    |   0.0 |  0.06
Output  | 0.00022914 | 0.00022914 | 0.00022914 |   0.0 |  0.00
Modify  | 0.71277    | 0.71277    | 0.71277    |   0.0 |  0.30
Other   |            | 0.09957    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327168.0 ave      327168 max      327168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327168
Ave neighs/atom = 81.792000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.435214087075, Press = 1.04026768846085
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -22759.012   -22759.012   -22918.258   -22918.258    308.07267    308.07267    60632.332    60632.332    2141.1601    2141.1601 
   45000   -22758.476   -22758.476   -22919.675   -22919.675    311.84937    311.84937     60687.04     60687.04     -613.414     -613.414 
Loop time of 267.285 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.246 hours/ns, 3.741 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    | 266.18     | 266.18     | 266.18     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16616    | 0.16616    | 0.16616    |   0.0 |  0.06
Output  | 0.00022776 | 0.00022776 | 0.00022776 |   0.0 |  0.00
Modify  | 0.82809    | 0.82809    | 0.82809    |   0.0 |  0.31
Other   |            | 0.1068     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327328.0 ave      327328 max      327328 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327328
Ave neighs/atom = 81.832000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.440253998657, Press = -0.317207320868972
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -22758.476   -22758.476   -22919.675   -22919.675    311.84937    311.84937     60687.04     60687.04     -613.414     -613.414 
   46000   -22755.448   -22755.448   -22920.666   -22920.666    319.62586    319.62586    60648.345    60648.345    1118.1045    1118.1045 
Loop time of 266.843 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.324 ns/day, 74.123 hours/ns, 3.748 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 265.74     | 265.74     | 265.74     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16589    | 0.16589    | 0.16589    |   0.0 |  0.06
Output  | 0.00022468 | 0.00022468 | 0.00022468 |   0.0 |  0.00
Modify  | 0.83309    | 0.83309    | 0.83309    |   0.0 |  0.31
Other   |            | 0.1067     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326860.0 ave      326860 max      326860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326860
Ave neighs/atom = 81.715000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.446423537569, Press = 0.899646190322346
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -22755.448   -22755.448   -22920.666   -22920.666    319.62586    319.62586    60648.345    60648.345    1118.1045    1118.1045 
   47000   -22759.481   -22759.481   -22921.835   -22921.835    314.08571    314.08571    60720.175    60720.175   -2432.8954   -2432.8954 
Loop time of 255.263 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.338 ns/day, 70.906 hours/ns, 3.918 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    | 254.22     | 254.22     | 254.22     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15951    | 0.15951    | 0.15951    |   0.0 |  0.06
Output  | 0.00017801 | 0.00017801 | 0.00017801 |   0.0 |  0.00
Modify  | 0.77993    | 0.77993    | 0.77993    |   0.0 |  0.31
Other   |            | 0.1045     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327000.0 ave      327000 max      327000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327000
Ave neighs/atom = 81.750000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.443953913307, Press = 0.882963769162272
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -22759.481   -22759.481   -22921.835   -22921.835    314.08571    314.08571    60720.175    60720.175   -2432.8954   -2432.8954 
   48000   -22754.551   -22754.551   -22917.539   -22917.539    315.31188    315.31188    60628.506    60628.506    2306.4715    2306.4715 
Loop time of 256.186 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.337 ns/day, 71.163 hours/ns, 3.903 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    | 255.13     | 255.13     | 255.13     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16182    | 0.16182    | 0.16182    |   0.0 |  0.06
Output  | 0.00024508 | 0.00024508 | 0.00024508 |   0.0 |  0.00
Modify  | 0.79097    | 0.79097    | 0.79097    |   0.0 |  0.31
Other   |            | 0.1043     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326614.0 ave      326614 max      326614 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326614
Ave neighs/atom = 81.653500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.432459593179, Press = 0.87143394417912
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -22754.551   -22754.551   -22917.539   -22917.539    315.31188    315.31188    60628.506    60628.506    2306.4715    2306.4715 
   49000   -22757.284   -22757.284   -22919.235   -22919.235     313.3054     313.3054      60713.7      60713.7    -1789.333    -1789.333 
Loop time of 262.8 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.329 ns/day, 73.000 hours/ns, 3.805 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    | 261.71     | 261.71     | 261.71     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16494    | 0.16494    | 0.16494    |   0.0 |  0.06
Output  | 0.00018056 | 0.00018056 | 0.00018056 |   0.0 |  0.00
Modify  | 0.81557    | 0.81557    | 0.81557    |   0.0 |  0.31
Other   |            | 0.1061     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327224.0 ave      327224 max      327224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327224
Ave neighs/atom = 81.806000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.393701760588, Press = 0.0623995034939594
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -22757.284   -22757.284   -22919.235   -22919.235     313.3054     313.3054      60713.7      60713.7    -1789.333    -1789.333 
   50000   -22751.547   -22751.547   -22914.702   -22914.702    315.63433    315.63433    60691.957    60691.957   -144.07564   -144.07564 
Loop time of 266.599 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.324 ns/day, 74.055 hours/ns, 3.751 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    | 265.49     | 265.49     | 265.49     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16699    | 0.16699    | 0.16699    |   0.0 |  0.06
Output  | 0.00027245 | 0.00027245 | 0.00027245 |   0.0 |  0.00
Modify  | 0.83062    | 0.83062    | 0.83062    |   0.0 |  0.31
Other   |            | 0.1071     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326728.0 ave      326728 max      326728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326728
Ave neighs/atom = 81.682000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.436742507383, Press = 0.914622438603886
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -22751.547   -22751.547   -22914.702   -22914.702    315.63433    315.63433    60691.957    60691.957   -144.07564   -144.07564 
   51000   -22755.031   -22755.031   -22920.559   -22920.559    320.22496    320.22496    60677.862    60677.862   -257.42152   -257.42152 
Loop time of 263.58 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.328 ns/day, 73.217 hours/ns, 3.794 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 262.5      | 262.5      | 262.5      |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16507    | 0.16507    | 0.16507    |   0.0 |  0.06
Output  | 0.00017737 | 0.00017737 | 0.00017737 |   0.0 |  0.00
Modify  | 0.81382    | 0.81382    | 0.81382    |   0.0 |  0.31
Other   |            | 0.1054     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326764.0 ave      326764 max      326764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326764
Ave neighs/atom = 81.691000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.430460248712, Press = 0.309038397401327
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -22755.031   -22755.031   -22920.559   -22920.559    320.22496    320.22496    60677.862    60677.862   -257.42152   -257.42152 
   52000   -22758.778   -22758.778   -22918.271   -22918.271    308.55013    308.55013    60677.451    60677.451   -27.648538   -27.648538 
Loop time of 247.442 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.349 ns/day, 68.734 hours/ns, 4.041 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 246.44     | 246.44     | 246.44     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15438    | 0.15438    | 0.15438    |   0.0 |  0.06
Output  | 0.00017521 | 0.00017521 | 0.00017521 |   0.0 |  0.00
Modify  | 0.74571    | 0.74571    | 0.74571    |   0.0 |  0.30
Other   |            | 0.1002     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326970.0 ave      326970 max      326970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326970
Ave neighs/atom = 81.742500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.441099652072, Press = 1.15876438186631
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -22758.778   -22758.778   -22918.271   -22918.271    308.55013    308.55013    60677.451    60677.451   -27.648538   -27.648538 
   53000   -22754.208   -22754.208   -22916.373   -22916.373    313.71891    313.71891     60584.45     60584.45    4609.0719    4609.0719 
Loop time of 228.312 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.378 ns/day, 63.420 hours/ns, 4.380 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 227.41     | 227.41     | 227.41     |   0.0 | 99.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14399    | 0.14399    | 0.14399    |   0.0 |  0.06
Output  | 0.00017743 | 0.00017743 | 0.00017743 |   0.0 |  0.00
Modify  | 0.66114    | 0.66114    | 0.66114    |   0.0 |  0.29
Other   |            | 0.09487    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326948.0 ave      326948 max      326948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326948
Ave neighs/atom = 81.737000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.45383348277, Press = -0.75371653435796
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -22754.208   -22754.208   -22916.373   -22916.373    313.71891    313.71891     60584.45     60584.45    4609.0719    4609.0719 
   54000   -22758.726   -22758.726   -22918.681   -22918.681     309.4439     309.4439    60696.608    60696.608   -1042.5238   -1042.5238 
Loop time of 263.328 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.328 ns/day, 73.147 hours/ns, 3.798 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    | 262.25     | 262.25     | 262.25     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16265    | 0.16265    | 0.16265    |   0.0 |  0.06
Output  | 0.00024107 | 0.00024107 | 0.00024107 |   0.0 |  0.00
Modify  | 0.81206    | 0.81206    | 0.81206    |   0.0 |  0.31
Other   |            | 0.1051     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327544.0 ave      327544 max      327544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327544
Ave neighs/atom = 81.886000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.465427833828, Press = 0.491507481966907
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -22758.726   -22758.726   -22918.681   -22918.681     309.4439     309.4439    60696.608    60696.608   -1042.5238   -1042.5238 
   55000   -22755.687   -22755.687    -22919.66    -22919.66    317.21794    317.21794    60692.224    60692.224   -889.90207   -889.90207 
Loop time of 258.15 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.335 ns/day, 71.708 hours/ns, 3.874 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 257.09     | 257.09     | 257.09     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15988    | 0.15988    | 0.15988    |   0.0 |  0.06
Output  | 0.00017729 | 0.00017729 | 0.00017729 |   0.0 |  0.00
Modify  | 0.79421    | 0.79421    | 0.79421    |   0.0 |  0.31
Other   |            | 0.1043     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326792.0 ave      326792 max      326792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326792
Ave neighs/atom = 81.698000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.460307708139, Press = 1.05864185141041
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -22755.687   -22755.687    -22919.66    -22919.66    317.21794    317.21794    60692.224    60692.224   -889.90207   -889.90207 
   56000   -22761.973   -22761.973   -22920.627   -22920.627    306.92765    306.92765    60671.479    60671.479   -100.29452   -100.29452 
Loop time of 263.407 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.328 ns/day, 73.168 hours/ns, 3.796 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    | 262.32     | 262.32     | 262.32     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16353    | 0.16353    | 0.16353    |   0.0 |  0.06
Output  | 0.0002441  | 0.0002441  | 0.0002441  |   0.0 |  0.00
Modify  | 0.81729    | 0.81729    | 0.81729    |   0.0 |  0.31
Other   |            | 0.1056     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326822.0 ave      326822 max      326822 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326822
Ave neighs/atom = 81.705500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.439616468868, Press = 0.631057644092763
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -22761.973   -22761.973   -22920.627   -22920.627    306.92765    306.92765    60671.479    60671.479   -100.29452   -100.29452 
   57000   -22759.852   -22759.852   -22918.265   -22918.265     306.4601     306.4601    60635.298    60635.298    1923.7824    1923.7824 
Loop time of 267.83 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.397 hours/ns, 3.734 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 266.72     | 266.72     | 266.72     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16704    | 0.16704    | 0.16704    |   0.0 |  0.06
Output  | 0.00022471 | 0.00022471 | 0.00022471 |   0.0 |  0.00
Modify  | 0.83403    | 0.83403    | 0.83403    |   0.0 |  0.31
Other   |            | 0.1068     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326784.0 ave      326784 max      326784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326784
Ave neighs/atom = 81.696000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.433143916662, Press = 0.733625869623628
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -22759.852   -22759.852   -22918.265   -22918.265     306.4601     306.4601    60635.298    60635.298    1923.7824    1923.7824 
   58000   -22753.249   -22753.249   -22916.166   -22916.166    315.17366    315.17366     60726.58     60726.58   -2054.0765   -2054.0765 
Loop time of 246.624 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.350 ns/day, 68.507 hours/ns, 4.055 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    | 245.63     | 245.63     | 245.63     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15606    | 0.15606    | 0.15606    |   0.0 |  0.06
Output  | 0.00017641 | 0.00017641 | 0.00017641 |   0.0 |  0.00
Modify  | 0.74183    | 0.74183    | 0.74183    |   0.0 |  0.30
Other   |            | 0.1001     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327116.0 ave      327116 max      327116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327116
Ave neighs/atom = 81.779000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.445396309454, Press = -0.606549218802817
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -22753.249   -22753.249   -22916.166   -22916.166    315.17366    315.17366     60726.58     60726.58   -2054.0765   -2054.0765 
   59000   -22756.891   -22756.891   -22919.434   -22919.434    314.45077    314.45077    60713.865    60713.865   -1910.9986   -1910.9986 
Loop time of 233.078 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.371 ns/day, 64.744 hours/ns, 4.290 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    | 232.14     | 232.14     | 232.14     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15313    | 0.15313    | 0.15313    |   0.0 |  0.07
Output  | 0.0002118  | 0.0002118  | 0.0002118  |   0.0 |  0.00
Modify  | 0.68671    | 0.68671    | 0.68671    |   0.0 |  0.29
Other   |            | 0.09546    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326710.0 ave      326710 max      326710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326710
Ave neighs/atom = 81.677500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.433204611648, Press = 1.18555279104022
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -22756.891   -22756.891   -22919.434   -22919.434    314.45077    314.45077    60713.865    60713.865   -1910.9986   -1910.9986 
   60000    -22759.52    -22759.52   -22919.046   -22919.046     308.6125     308.6125     60706.75     60706.75   -1497.0644   -1497.0644 
Loop time of 254.296 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.340 ns/day, 70.638 hours/ns, 3.932 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 253.25     | 253.25     | 253.25     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16117    | 0.16117    | 0.16117    |   0.0 |  0.06
Output  | 0.00022453 | 0.00022453 | 0.00022453 |   0.0 |  0.00
Modify  | 0.78425    | 0.78425    | 0.78425    |   0.0 |  0.31
Other   |            | 0.1033     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326864.0 ave      326864 max      326864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326864
Ave neighs/atom = 81.716000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.443231668498, Press = 0.893262391330356
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000    -22759.52    -22759.52   -22919.046   -22919.046     308.6125     308.6125     60706.75     60706.75   -1497.0644   -1497.0644 
   61000   -22756.505   -22756.505   -22917.446   -22917.446    311.35065    311.35065    60724.424    60724.424   -2017.9892   -2017.9892 
Loop time of 258.736 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.334 ns/day, 71.871 hours/ns, 3.865 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 257.66     | 257.66     | 257.66     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16224    | 0.16224    | 0.16224    |   0.0 |  0.06
Output  | 0.00021955 | 0.00021955 | 0.00021955 |   0.0 |  0.00
Modify  | 0.80362    | 0.80362    | 0.80362    |   0.0 |  0.31
Other   |            | 0.1056     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326844.0 ave      326844 max      326844 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326844
Ave neighs/atom = 81.711000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.454181022445, Press = 0.983655926265777
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -22756.505   -22756.505   -22917.446   -22917.446    311.35065    311.35065    60724.424    60724.424   -2017.9892   -2017.9892 
   62000   -22762.241   -22762.241   -22922.366   -22922.366    309.77329    309.77329    60644.609    60644.609    901.40245    901.40245 
Loop time of 267.088 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.191 hours/ns, 3.744 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 265.98     | 265.98     | 265.98     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16752    | 0.16752    | 0.16752    |   0.0 |  0.06
Output  | 0.00017661 | 0.00017661 | 0.00017661 |   0.0 |  0.00
Modify  | 0.82888    | 0.82888    | 0.82888    |   0.0 |  0.31
Other   |            | 0.1074     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326676.0 ave      326676 max      326676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326676
Ave neighs/atom = 81.669000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.452063060441, Press = 0.289610592839271
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -22762.241   -22762.241   -22922.366   -22922.366    309.77329    309.77329    60644.609    60644.609    901.40245    901.40245 
   63000   -22755.882   -22755.882   -22917.146   -22917.146    311.97483    311.97483    60738.237    60738.237   -2610.0128   -2610.0128 
Loop time of 244.76 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.353 ns/day, 67.989 hours/ns, 4.086 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 243.77     | 243.77     | 243.77     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15489    | 0.15489    | 0.15489    |   0.0 |  0.06
Output  | 0.00017687 | 0.00017687 | 0.00017687 |   0.0 |  0.00
Modify  | 0.7367     | 0.7367     | 0.7367     |   0.0 |  0.30
Other   |            | 0.1005     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327114.0 ave      327114 max      327114 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327114
Ave neighs/atom = 81.778500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.422479363287, Press = 0.0600275844822467
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -22755.882   -22755.882   -22917.146   -22917.146    311.97483    311.97483    60738.237    60738.237   -2610.0128   -2610.0128 
   64000   -22758.674   -22758.674   -22920.783   -22920.783    313.61053    313.61053    60654.597    60654.597    775.30259    775.30259 
Loop time of 229.302 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.377 ns/day, 63.695 hours/ns, 4.361 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 228.39     | 228.39     | 228.39     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14909    | 0.14909    | 0.14909    |   0.0 |  0.07
Output  | 0.00017696 | 0.00017696 | 0.00017696 |   0.0 |  0.00
Modify  | 0.66553    | 0.66553    | 0.66553    |   0.0 |  0.29
Other   |            | 0.09383    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326548.0 ave      326548 max      326548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326548
Ave neighs/atom = 81.637000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.411525069202, Press = 1.5895396315538
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -22758.674   -22758.674   -22920.783   -22920.783    313.61053    313.61053    60654.597    60654.597    775.30259    775.30259 
   65000   -22759.867   -22759.867   -22919.706   -22919.706    309.21938    309.21938    60681.752    60681.752   -356.70448   -356.70448 
Loop time of 230.318 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.375 ns/day, 63.977 hours/ns, 4.342 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 229.41     | 229.41     | 229.41     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14915    | 0.14915    | 0.14915    |   0.0 |  0.06
Output  | 0.00017634 | 0.00017634 | 0.00017634 |   0.0 |  0.00
Modify  | 0.66727    | 0.66727    | 0.66727    |   0.0 |  0.29
Other   |            | 0.09419    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327054.0 ave      327054 max      327054 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327054
Ave neighs/atom = 81.763500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.42809832191, Press = 0.314343049635254
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -22759.867   -22759.867   -22919.706   -22919.706    309.21938    309.21938    60681.752    60681.752   -356.70448   -356.70448 
   66000   -22756.341   -22756.341   -22916.716   -22916.716    310.25559    310.25559    60674.101    60674.101    454.64044    454.64044 
Loop time of 256.769 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.336 ns/day, 71.325 hours/ns, 3.895 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 255.71     | 255.71     | 255.71     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16212    | 0.16212    | 0.16212    |   0.0 |  0.06
Output  | 0.00017601 | 0.00017601 | 0.00017601 |   0.0 |  0.00
Modify  | 0.79281    | 0.79281    | 0.79281    |   0.0 |  0.31
Other   |            | 0.1044     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326916.0 ave      326916 max      326916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326916
Ave neighs/atom = 81.729000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.442788989515, Press = 0.733133724256712
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -22756.341   -22756.341   -22916.716   -22916.716    310.25559    310.25559    60674.101    60674.101    454.64044    454.64044 
   67000   -22763.408   -22763.408   -22923.524   -22923.524    309.75602    309.75602    60667.049    60667.049   -178.15176   -178.15176 
Loop time of 260.117 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.332 ns/day, 72.255 hours/ns, 3.844 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 259.03     | 259.03     | 259.03     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16496    | 0.16496    | 0.16496    |   0.0 |  0.06
Output  | 0.00028552 | 0.00028552 | 0.00028552 |   0.0 |  0.00
Modify  | 0.80949    | 0.80949    | 0.80949    |   0.0 |  0.31
Other   |            | 0.107      |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327084.0 ave      327084 max      327084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327084
Ave neighs/atom = 81.771000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.426849989124, Press = 0.463068361172844
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -22763.408   -22763.408   -22923.524   -22923.524    309.75602    309.75602    60667.049    60667.049   -178.15176   -178.15176 
   68000   -22753.451   -22753.451   -22916.423   -22916.423    315.28014    315.28014    60652.396    60652.396    1497.0937    1497.0937 
Loop time of 267.305 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.251 hours/ns, 3.741 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    | 266.19     | 266.19     | 266.19     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16675    | 0.16675    | 0.16675    |   0.0 |  0.06
Output  | 0.00021785 | 0.00021785 | 0.00021785 |   0.0 |  0.00
Modify  | 0.83921    | 0.83921    | 0.83921    |   0.0 |  0.31
Other   |            | 0.1058     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326918.0 ave      326918 max      326918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326918
Ave neighs/atom = 81.729500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.409968862796, Press = 1.38638829209463
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -22753.451   -22753.451   -22916.423   -22916.423    315.28014    315.28014    60652.396    60652.396    1497.0937    1497.0937 
   69000   -22756.041   -22756.041   -22921.182   -22921.182    319.47615    319.47615    60668.227    60668.227    227.01356    227.01356 
Loop time of 266.977 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.324 ns/day, 74.160 hours/ns, 3.746 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    | 265.86     | 265.86     | 265.86     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16688    | 0.16688    | 0.16688    |   0.0 |  0.06
Output  | 0.00017535 | 0.00017535 | 0.00017535 |   0.0 |  0.00
Modify  | 0.83934    | 0.83934    | 0.83934    |   0.0 |  0.31
Other   |            | 0.1071     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327070.0 ave      327070 max      327070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327070
Ave neighs/atom = 81.767500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.420017798221, Press = -0.0314959442677513
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -22756.041   -22756.041   -22921.182   -22921.182    319.47615    319.47615    60668.227    60668.227    227.01356    227.01356 
   70000   -22759.961   -22759.961   -22918.957   -22918.957    307.58776    307.58776    60707.039    60707.039   -1472.4784   -1472.4784 
Loop time of 267.146 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.207 hours/ns, 3.743 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    | 266.03     | 266.03     | 266.03     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16604    | 0.16604    | 0.16604    |   0.0 |  0.06
Output  | 0.00028252 | 0.00028252 | 0.00028252 |   0.0 |  0.00
Modify  | 0.84122    | 0.84122    | 0.84122    |   0.0 |  0.31
Other   |            | 0.1076     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327142.0 ave      327142 max      327142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327142
Ave neighs/atom = 81.785500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.415217783038, Press = 0.464923832839895
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -22759.961   -22759.961   -22918.957   -22918.957    307.58776    307.58776    60707.039    60707.039   -1472.4784   -1472.4784 
   71000   -22754.895   -22754.895   -22918.545   -22918.545    316.59217    316.59217     60664.13     60664.13     618.1825     618.1825 
Loop time of 267.481 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.323 ns/day, 74.300 hours/ns, 3.739 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 266.37     | 266.37     | 266.37     |   0.0 | 99.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16616    | 0.16616    | 0.16616    |   0.0 |  0.06
Output  | 0.00017775 | 0.00017775 | 0.00017775 |   0.0 |  0.00
Modify  | 0.84144    | 0.84144    | 0.84144    |   0.0 |  0.31
Other   |            | 0.107      |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      326704.0 ave      326704 max      326704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 326704
Ave neighs/atom = 81.676000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.379749157419, Press = 0.58869313127539
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -22754.895   -22754.895   -22918.545   -22918.545    316.59217    316.59217     60664.13     60664.13     618.1825     618.1825 
   72000   -22761.808   -22761.808   -22921.005   -22921.005    307.97801    307.97801    60671.276    60671.276   -165.20075   -165.20075 
Loop time of 244.614 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.353 ns/day, 67.948 hours/ns, 4.088 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    | 243.62     | 243.62     | 243.62     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15468    | 0.15468    | 0.15468    |   0.0 |  0.06
Output  | 0.00018    | 0.00018    | 0.00018    |   0.0 |  0.00
Modify  | 0.73773    | 0.73773    | 0.73773    |   0.0 |  0.30
Other   |            | 0.09829    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327162.0 ave      327162 max      327162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327162
Ave neighs/atom = 81.790500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.360192761545, Press = 0.299289757763136
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -22761.808   -22761.808   -22921.005   -22921.005    307.97801    307.97801    60671.276    60671.276   -165.20075   -165.20075 
   73000   -22756.486   -22756.486   -22917.078   -22917.078     310.6758     310.6758    60657.938    60657.938    965.58483    965.58483 
Loop time of 237.455 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.364 ns/day, 65.960 hours/ns, 4.211 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 236.5      | 236.5      | 236.5      |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15117    | 0.15117    | 0.15117    |   0.0 |  0.06
Output  | 0.00017752 | 0.00017752 | 0.00017752 |   0.0 |  0.00
Modify  | 0.70221    | 0.70221    | 0.70221    |   0.0 |  0.30
Other   |            | 0.09694    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327074.0 ave      327074 max      327074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327074
Ave neighs/atom = 81.768500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.343652522155, Press = 0.60781718814142
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -22756.486   -22756.486   -22917.078   -22917.078     310.6758     310.6758    60657.938    60657.938    965.58483    965.58483 
   74000   -22765.656   -22765.656   -22924.239   -22924.239    306.78886    306.78886    60628.441    60628.441    1332.7705    1332.7705 
Loop time of 241.903 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.357 ns/day, 67.195 hours/ns, 4.134 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 240.93     | 240.93     | 240.93     |   0.0 | 99.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15122    | 0.15122    | 0.15122    |   0.0 |  0.06
Output  | 0.00018679 | 0.00018679 | 0.00018679 |   0.0 |  0.00
Modify  | 0.72089    | 0.72089    | 0.72089    |   0.0 |  0.30
Other   |            | 0.09871    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327126.0 ave      327126 max      327126 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327126
Ave neighs/atom = 81.781500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.316109511817, Press = 0.403359949094966
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -22765.656   -22765.656   -22924.239   -22924.239    306.78886    306.78886    60628.441    60628.441    1332.7705    1332.7705 
   75000    -22755.53    -22755.53   -22918.359   -22918.359    315.00399    315.00399    60667.746    60667.746    383.14812    383.14812 
Loop time of 266.768 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.324 ns/day, 74.102 hours/ns, 3.749 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 265.67     | 265.67     | 265.67     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16631    | 0.16631    | 0.16631    |   0.0 |  0.06
Output  | 0.00017764 | 0.00017764 | 0.00017764 |   0.0 |  0.00
Modify  | 0.82743    | 0.82743    | 0.82743    |   0.0 |  0.31
Other   |            | 0.1068     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327252.0 ave      327252 max      327252 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327252
Ave neighs/atom = 81.813000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.311863697752, Press = 0.718499919596018
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000    -22755.53    -22755.53   -22918.359   -22918.359    315.00399    315.00399    60667.746    60667.746    383.14812    383.14812 
   76000   -22756.476   -22756.476   -22916.236   -22916.236    309.06498    309.06498     60657.32     60657.32    1052.7887    1052.7887 
Loop time of 248.491 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.348 ns/day, 69.025 hours/ns, 4.024 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 247.48     | 247.48     | 247.48     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15744    | 0.15744    | 0.15744    |   0.0 |  0.06
Output  | 0.00028586 | 0.00028586 | 0.00028586 |   0.0 |  0.00
Modify  | 0.75006    | 0.75006    | 0.75006    |   0.0 |  0.30
Other   |            | 0.09989    |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327206.0 ave      327206 max      327206 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327206
Ave neighs/atom = 81.801500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.311496768776, Press = 0.862830004941364
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.610 | 4.610 | 4.610 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -22756.476   -22756.476   -22916.236   -22916.236    309.06498    309.06498     60657.32     60657.32    1052.7887    1052.7887 
   77000   -22756.447   -22756.447   -22919.299   -22919.299    315.04836    315.04836    60654.824    60654.824    895.07971    895.07971 
Loop time of 259.68 on 1 procs for 1000 steps with 4000 atoms

Performance: 0.333 ns/day, 72.133 hours/ns, 3.851 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 258.61     | 258.61     | 258.61     |   0.0 | 99.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16355    | 0.16355    | 0.16355    |   0.0 |  0.06
Output  | 0.00017562 | 0.00017562 | 0.00017562 |   0.0 |  0.00
Modify  | 0.80234    | 0.80234    | 0.80234    |   0.0 |  0.31
Other   |            | 0.1042     |            |       |  0.04

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      327226.0 ave      327226 max      327226 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 327226
Ave neighs/atom = 81.806500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
60675.8570572877

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0