# 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 3.565719813108445*${_u_distance}
variable latticeconst_converted equal 3.565719813108445*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.56571981310845
Lattice spacing in x,y,z = 3.5657198 3.5657198 3.5657198
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.657198 35.657198 35.657198)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.657198 35.657198 35.657198)
  create_atoms CPU = 0.002 seconds

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

kim_interactions C

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

kim interactions C
#=== BEGIN kim interactions ==================================
pair_style kim Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
pair_coeff * * C
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 12.0107

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 45335.8374670428    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8374670428/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8374670428/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 45335.8374670428/(1*1*${_u_distance})
variable      V0_metal equal 45335.8374670428/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 45335.8374670428*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 45335.8374670428 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 253.15*${_u_temperature}
variable temp_converted equal 253.15*1
variable Tdamp_converted equal 0.1*${_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 253.15 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 253.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 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  "253.15 - 0.2"
variable      T_up  equal  "253.15 + 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_751442731010_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58723.778   -58723.778   -58985.523   -58985.523       253.15       253.15    45335.837    45335.837    6166.8782    6166.8782 
    1000   -58438.003   -58438.003   -58711.764   -58711.764    264.77196    264.77196    45559.982    45559.982   -2497.9383   -2497.9383 
Loop time of 127.714 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.677 ns/day, 35.476 hours/ns, 7.830 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    | 126.95     | 126.95     | 126.95     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093133   | 0.093133   | 0.093133   |   0.0 |  0.07
Output  | 0.0011088  | 0.0011088  | 0.0011088  |   0.0 |  0.00
Modify  | 0.5793     | 0.5793     | 0.5793     |   0.0 |  0.45
Other   |            | 0.0947     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.26400e+06 ave   1.264e+06 max   1.264e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1264000
Ave neighs/atom = 158.00000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -58438.003   -58438.003   -58711.764   -58711.764    264.77196    264.77196    45559.982    45559.982   -2497.9383   -2497.9383 
    2000   -58464.596   -58464.596   -58716.159   -58716.159    243.30235    243.30235    45521.792    45521.792    399.54374    399.54374 
Loop time of 134.449 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.643 ns/day, 37.347 hours/ns, 7.438 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    | 133.62     | 133.62     | 133.62     |   0.0 | 99.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.098061   | 0.098061   | 0.098061   |   0.0 |  0.07
Output  | 0.00017423 | 0.00017423 | 0.00017423 |   0.0 |  0.00
Modify  | 0.62149    | 0.62149    | 0.62149    |   0.0 |  0.46
Other   |            | 0.1075     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24452e+06 ave 1.24452e+06 max 1.24452e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1244524
Ave neighs/atom = 155.56550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -58464.596   -58464.596   -58716.159   -58716.159    243.30235    243.30235    45521.792    45521.792    399.54374    399.54374 
    3000   -58453.719   -58453.719    -58713.63    -58713.63    251.37656    251.37656    45517.769    45517.769    1123.1471    1123.1471 
Loop time of 142.018 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.608 ns/day, 39.449 hours/ns, 7.041 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    | 141.19     | 141.19     | 141.19     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.096571   | 0.096571   | 0.096571   |   0.0 |  0.07
Output  | 0.00016638 | 0.00016638 | 0.00016638 |   0.0 |  0.00
Modify  | 0.63493    | 0.63493    | 0.63493    |   0.0 |  0.45
Other   |            | 0.09747    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24651e+06 ave 1.24651e+06 max 1.24651e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246506
Ave neighs/atom = 155.81325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58453.719   -58453.719    -58713.63    -58713.63    251.37656    251.37656    45517.769    45517.769    1123.1471    1123.1471 
    4000   -58455.751   -58455.751   -58721.655   -58721.655    257.17233    257.17233    45543.735    45543.735   -1732.3603   -1732.3603 
Loop time of 145.282 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.595 ns/day, 40.356 hours/ns, 6.883 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    | 144.45     | 144.45     | 144.45     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.097308   | 0.097308   | 0.097308   |   0.0 |  0.07
Output  | 0.00032896 | 0.00032896 | 0.00032896 |   0.0 |  0.00
Modify  | 0.64598    | 0.64598    | 0.64598    |   0.0 |  0.44
Other   |            | 0.09275    |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24683e+06 ave 1.24683e+06 max 1.24683e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246826
Ave neighs/atom = 155.85325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -58455.751   -58455.751   -58721.655   -58721.655    257.17233    257.17233    45543.735    45543.735   -1732.3603   -1732.3603 
    5000   -58460.258   -58460.258   -58722.911   -58722.911    254.02758    254.02758     45504.11     45504.11    2197.9182    2197.9182 
Loop time of 146.797 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.589 ns/day, 40.777 hours/ns, 6.812 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    | 145.84     | 145.84     | 145.84     |   0.0 | 99.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13254    | 0.13254    | 0.13254    |   0.0 |  0.09
Output  | 0.00017191 | 0.00017191 | 0.00017191 |   0.0 |  0.00
Modify  | 0.69449    | 0.69449    | 0.69449    |   0.0 |  0.47
Other   |            | 0.13       |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24575e+06 ave 1.24575e+06 max 1.24575e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245752
Ave neighs/atom = 155.71900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.508100358154, Press = -598.938798143943
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58460.258   -58460.258   -58722.911   -58722.911    254.02758    254.02758     45504.11     45504.11    2197.9182    2197.9182 
    6000   -58451.821   -58451.821   -58716.944   -58716.944    256.41728    256.41728    45547.744    45547.744   -1791.3346   -1791.3346 
Loop time of 126.54 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.683 ns/day, 35.150 hours/ns, 7.903 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 125.78     | 125.78     | 125.78     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.08964    | 0.08964    | 0.08964    |   0.0 |  0.07
Output  | 0.00013748 | 0.00013748 | 0.00013748 |   0.0 |  0.00
Modify  | 0.58539    | 0.58539    | 0.58539    |   0.0 |  0.46
Other   |            | 0.08397    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24743e+06 ave 1.24743e+06 max 1.24743e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247428
Ave neighs/atom = 155.92850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.868000359413, Press = 32.2988719889417
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -58451.821   -58451.821   -58716.944   -58716.944    256.41728    256.41728    45547.744    45547.744   -1791.3346   -1791.3346 
    7000   -58461.293   -58461.293   -58723.223   -58723.223    253.32905    253.32905    45536.022    45536.022   -1029.9235   -1029.9235 
Loop time of 138.959 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.622 ns/day, 38.600 hours/ns, 7.196 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    | 138.11     | 138.11     | 138.11     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.096966   | 0.096966   | 0.096966   |   0.0 |  0.07
Output  | 0.00016114 | 0.00016114 | 0.00016114 |   0.0 |  0.00
Modify  | 0.64765    | 0.64765    | 0.64765    |   0.0 |  0.47
Other   |            | 0.1045     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24550e+06 ave  1.2455e+06 max  1.2455e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245496
Ave neighs/atom = 155.68700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.002802028832, Press = -56.956034094231
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -58461.293   -58461.293   -58723.223   -58723.223    253.32905    253.32905    45536.022    45536.022   -1029.9235   -1029.9235 
    8000   -58453.384   -58453.384   -58717.798   -58717.798    255.73139    255.73139    45513.466    45513.466     1324.462     1324.462 
Loop time of 143.932 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.600 ns/day, 39.981 hours/ns, 6.948 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.05     | 143.05     | 143.05     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10002    | 0.10002    | 0.10002    |   0.0 |  0.07
Output  | 0.00015678 | 0.00015678 | 0.00015678 |   0.0 |  0.00
Modify  | 0.67181    | 0.67181    | 0.67181    |   0.0 |  0.47
Other   |            | 0.1118     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24674e+06 ave 1.24674e+06 max 1.24674e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246744
Ave neighs/atom = 155.84300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.123215387184, Press = -7.05313085869022
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -58453.384   -58453.384   -58717.798   -58717.798    255.73139    255.73139    45513.466    45513.466     1324.462     1324.462 
    9000   -58457.834   -58457.834   -58725.821   -58725.821    259.18712    259.18712    45539.663    45539.663    -1407.017    -1407.017 
Loop time of 150.035 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.676 hours/ns, 6.665 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    | 149.15     | 149.15     | 149.15     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10129    | 0.10129    | 0.10129    |   0.0 |  0.07
Output  | 0.00014304 | 0.00014304 | 0.00014304 |   0.0 |  0.00
Modify  | 0.68131    | 0.68131    | 0.68131    |   0.0 |  0.45
Other   |            | 0.1001     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24688e+06 ave 1.24688e+06 max 1.24688e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246880
Ave neighs/atom = 155.86000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.041942266114, Press = -10.9728623295148
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -58457.834   -58457.834   -58725.821   -58725.821    259.18712    259.18712    45539.663    45539.663    -1407.017    -1407.017 
   10000    -58459.49    -58459.49   -58719.918   -58719.918     251.8762     251.8762    45515.053    45515.053    1125.3821    1125.3821 
Loop time of 149.965 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.657 hours/ns, 6.668 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    | 149.08     | 149.08     | 149.08     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10207    | 0.10207    | 0.10207    |   0.0 |  0.07
Output  | 0.00013452 | 0.00013452 | 0.00013452 |   0.0 |  0.00
Modify  | 0.68372    | 0.68372    | 0.68372    |   0.0 |  0.46
Other   |            | 0.09845    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24631e+06 ave 1.24631e+06 max 1.24631e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246308
Ave neighs/atom = 155.78850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.126620898899, Press = -13.0398087062877
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000    -58459.49    -58459.49   -58719.918   -58719.918     251.8762     251.8762    45515.053    45515.053    1125.3821    1125.3821 
   11000   -58453.205   -58453.205   -58715.788   -58715.788    253.96075    253.96075    45531.735    45531.735   -296.56992   -296.56992 
Loop time of 150.023 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.673 hours/ns, 6.666 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 149.15     | 149.15     | 149.15     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.099581   | 0.099581   | 0.099581   |   0.0 |  0.07
Output  | 0.00013278 | 0.00013278 | 0.00013278 |   0.0 |  0.00
Modify  | 0.67737    | 0.67737    | 0.67737    |   0.0 |  0.45
Other   |            | 0.09579    |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24737e+06 ave 1.24737e+06 max 1.24737e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247372
Ave neighs/atom = 155.92150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.022613855431, Press = 0.476040449636921
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58453.205   -58453.205   -58715.788   -58715.788    253.96075    253.96075    45531.735    45531.735   -296.56992   -296.56992 
   12000   -58460.991   -58460.991   -58720.172   -58720.172    250.67089    250.67089    45544.482    45544.482   -1889.5689   -1889.5689 
Loop time of 149.983 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.662 hours/ns, 6.667 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    | 149.12     | 149.12     | 149.12     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.098128   | 0.098128   | 0.098128   |   0.0 |  0.07
Output  | 0.0001329  | 0.0001329  | 0.0001329  |   0.0 |  0.00
Modify  | 0.6746     | 0.6746     | 0.6746     |   0.0 |  0.45
Other   |            | 0.09446    |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24597e+06 ave 1.24597e+06 max 1.24597e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245968
Ave neighs/atom = 155.74600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.99474643578, Press = -16.4801540856888
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -58460.991   -58460.991   -58720.172   -58720.172    250.67089    250.67089    45544.482    45544.482   -1889.5689   -1889.5689 
   13000   -58455.105   -58455.105   -58723.882   -58723.882     259.9512     259.9512    45490.742    45490.742     3670.164     3670.164 
Loop time of 150 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.667 hours/ns, 6.667 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    | 149.08     | 149.08     | 149.08     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11358    | 0.11358    | 0.11358    |   0.0 |  0.08
Output  | 0.00014557 | 0.00014557 | 0.00014557 |   0.0 |  0.00
Modify  | 0.69227    | 0.69227    | 0.69227    |   0.0 |  0.46
Other   |            | 0.1142     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24583e+06 ave 1.24583e+06 max 1.24583e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245832
Ave neighs/atom = 155.72900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.906839436842, Press = -1.02115925054862
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -58455.105   -58455.105   -58723.882   -58723.882     259.9512     259.9512    45490.742    45490.742     3670.164     3670.164 
   14000   -58463.151   -58463.151   -58721.335   -58721.335    249.70627    249.70627    45537.136    45537.136    -1204.179    -1204.179 
Loop time of 150.045 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.679 hours/ns, 6.665 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    | 149.18     | 149.18     | 149.18     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.098051   | 0.098051   | 0.098051   |   0.0 |  0.07
Output  | 0.00014602 | 0.00014602 | 0.00014602 |   0.0 |  0.00
Modify  | 0.67548    | 0.67548    | 0.67548    |   0.0 |  0.45
Other   |            | 0.09448    |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24807e+06 ave 1.24807e+06 max 1.24807e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1248070
Ave neighs/atom = 156.00875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.880781385993, Press = -3.56406125541275
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58463.151   -58463.151   -58721.335   -58721.335    249.70627    249.70627    45537.136    45537.136    -1204.179    -1204.179 
   15000   -58455.248   -58455.248   -58719.545   -58719.545    255.61799    255.61799    45524.455    45524.455    440.16829    440.16829 
Loop time of 150.137 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.575 ns/day, 41.705 hours/ns, 6.661 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    | 149.16     | 149.16     | 149.16     |   0.0 | 99.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12958    | 0.12958    | 0.12958    |   0.0 |  0.09
Output  | 0.0001462  | 0.0001462  | 0.0001462  |   0.0 |  0.00
Modify  | 0.71117    | 0.71117    | 0.71117    |   0.0 |  0.47
Other   |            | 0.1321     |            |       |  0.09

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24643e+06 ave 1.24643e+06 max 1.24643e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246432
Ave neighs/atom = 155.80400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.825528817136, Press = -6.01832579432774
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -58455.248   -58455.248   -58719.545   -58719.545    255.61799    255.61799    45524.455    45524.455    440.16829    440.16829 
   16000   -58458.953   -58458.953   -58722.406   -58722.406    254.80233    254.80233    45520.155    45520.155    780.37403    780.37403 
Loop time of 149.894 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.637 hours/ns, 6.671 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    | 149.02     | 149.02     | 149.02     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.099639   | 0.099639   | 0.099639   |   0.0 |  0.07
Output  | 0.00013975 | 0.00013975 | 0.00013975 |   0.0 |  0.00
Modify  | 0.67898    | 0.67898    | 0.67898    |   0.0 |  0.45
Other   |            | 0.09628    |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24679e+06 ave 1.24679e+06 max 1.24679e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246790
Ave neighs/atom = 155.84875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.878093122752, Press = -1.66834987274292
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58458.953   -58458.953   -58722.406   -58722.406    254.80233    254.80233    45520.155    45520.155    780.37403    780.37403 
   17000   -58454.432   -58454.432   -58716.325   -58716.325    253.29392    253.29392    45551.354    45551.354   -2250.6688   -2250.6688 
Loop time of 149.989 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.664 hours/ns, 6.667 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    | 149.12     | 149.12     | 149.12     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.099309   | 0.099309   | 0.099309   |   0.0 |  0.07
Output  | 0.00014374 | 0.00014374 | 0.00014374 |   0.0 |  0.00
Modify  | 0.67701    | 0.67701    | 0.67701    |   0.0 |  0.45
Other   |            | 0.0956     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24724e+06 ave 1.24724e+06 max 1.24724e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247238
Ave neighs/atom = 155.90475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.992745489085, Press = -5.85703136614928
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -58454.432   -58454.432   -58716.325   -58716.325    253.29392    253.29392    45551.354    45551.354   -2250.6688   -2250.6688 
   18000   -58458.112   -58458.112   -58714.308   -58714.308    247.78276    247.78276    45491.704    45491.704    3524.7391    3524.7391 
Loop time of 149.834 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.577 ns/day, 41.620 hours/ns, 6.674 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    | 148.97     | 148.97     | 148.97     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.098396   | 0.098396   | 0.098396   |   0.0 |  0.07
Output  | 0.0001324  | 0.0001324  | 0.0001324  |   0.0 |  0.00
Modify  | 0.67541    | 0.67541    | 0.67541    |   0.0 |  0.45
Other   |            | 0.09451    |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24559e+06 ave 1.24559e+06 max 1.24559e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245588
Ave neighs/atom = 155.69850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.996795835405, Press = -4.5833719840613
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -58458.112   -58458.112   -58714.308   -58714.308    247.78276    247.78276    45491.704    45491.704    3524.7391    3524.7391 
   19000   -58453.799   -58453.799   -58718.975   -58718.975     256.4681     256.4681    45543.791    45543.791    -1622.389    -1622.389 
Loop time of 150.165 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.575 ns/day, 41.713 hours/ns, 6.659 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    | 149.3      | 149.3      | 149.3      |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.098587   | 0.098587   | 0.098587   |   0.0 |  0.07
Output  | 0.00017175 | 0.00017175 | 0.00017175 |   0.0 |  0.00
Modify  | 0.67562    | 0.67562    | 0.67562    |   0.0 |  0.45
Other   |            | 0.09497    |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24760e+06 ave  1.2476e+06 max  1.2476e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247604
Ave neighs/atom = 155.95050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.986185023005, Press = 1.05309683610247
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58453.799   -58453.799   -58718.975   -58718.975     256.4681     256.4681    45543.791    45543.791    -1622.389    -1622.389 
   20000   -58456.086   -58456.086   -58718.162   -58718.162     253.4697     253.4697    45533.687    45533.687   -613.41139   -613.41139 
Loop time of 149.667 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.577 ns/day, 41.574 hours/ns, 6.682 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    | 148.76     | 148.76     | 148.76     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.099517   | 0.099517   | 0.099517   |   0.0 |  0.07
Output  | 0.0001338  | 0.0001338  | 0.0001338  |   0.0 |  0.00
Modify  | 0.69225    | 0.69225    | 0.69225    |   0.0 |  0.46
Other   |            | 0.1117     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24565e+06 ave 1.24565e+06 max 1.24565e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245646
Ave neighs/atom = 155.70575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.956875235874, Press = -6.38483782588395
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58456.086   -58456.086   -58718.162   -58718.162     253.4697     253.4697    45533.687    45533.687   -613.41139   -613.41139 
   21000   -58457.926   -58457.926   -58719.759   -58719.759    253.23578    253.23578    45508.475    45508.475     1842.335     1842.335 
Loop time of 150.029 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.675 hours/ns, 6.665 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    | 149.1      | 149.1      | 149.1      |   0.0 | 99.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11411    | 0.11411    | 0.11411    |   0.0 |  0.08
Output  | 0.00014398 | 0.00014398 | 0.00014398 |   0.0 |  0.00
Modify  | 0.7043     | 0.7043     | 0.7043     |   0.0 |  0.47
Other   |            | 0.1141     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24626e+06 ave 1.24626e+06 max 1.24626e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246260
Ave neighs/atom = 155.78250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.984760899425, Press = -0.669833582636474
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -58457.926   -58457.926   -58719.759   -58719.759    253.23578    253.23578    45508.475    45508.475     1842.335     1842.335 
   22000    -58454.52    -58454.52   -58717.985   -58717.985    254.81405    254.81405    45552.248    45552.248   -2422.6344   -2422.6344 
Loop time of 149.93 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.647 hours/ns, 6.670 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    | 149.04     | 149.04     | 149.04     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10381    | 0.10381    | 0.10381    |   0.0 |  0.07
Output  | 0.00013354 | 0.00013354 | 0.00013354 |   0.0 |  0.00
Modify  | 0.68396    | 0.68396    | 0.68396    |   0.0 |  0.46
Other   |            | 0.1005     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24723e+06 ave 1.24723e+06 max 1.24723e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247228
Ave neighs/atom = 155.90350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.958522154456, Press = -2.71506520184532
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000    -58454.52    -58454.52   -58717.985   -58717.985    254.81405    254.81405    45552.248    45552.248   -2422.6344   -2422.6344 
   23000   -58461.011   -58461.011   -58721.479   -58721.479    251.91475    251.91475    45494.139    45494.139    2989.2668    2989.2668 
Loop time of 149.89 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.576 ns/day, 41.636 hours/ns, 6.672 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    | 148.99     | 148.99     | 148.99     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1029     | 0.1029     | 0.1029     |   0.0 |  0.07
Output  | 0.0001402  | 0.0001402  | 0.0001402  |   0.0 |  0.00
Modify  | 0.6917     | 0.6917     | 0.6917     |   0.0 |  0.46
Other   |            | 0.1038     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24571e+06 ave 1.24571e+06 max 1.24571e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245714
Ave neighs/atom = 155.71425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.909021184891, Press = -5.70353047111749
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58461.011   -58461.011   -58721.479   -58721.479    251.91475    251.91475    45494.139    45494.139    2989.2668    2989.2668 
   24000   -58457.949   -58457.949    -58720.17    -58720.17    253.61056    253.61056    45528.301    45528.301   -72.599159   -72.599159 
Loop time of 135.942 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.636 ns/day, 37.762 hours/ns, 7.356 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.14     | 135.14     | 135.14     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.092833   | 0.092833   | 0.092833   |   0.0 |  0.07
Output  | 0.00025853 | 0.00025853 | 0.00025853 |   0.0 |  0.00
Modify  | 0.62241    | 0.62241    | 0.62241    |   0.0 |  0.46
Other   |            | 0.09149    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24783e+06 ave 1.24783e+06 max 1.24783e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247830
Ave neighs/atom = 155.97875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.902404252774, Press = 2.82408981911347
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58457.949   -58457.949    -58720.17    -58720.17    253.61056    253.61056    45528.301    45528.301   -72.599159   -72.599159 
   25000   -58452.268   -58452.268   -58716.083   -58716.083    255.15198    255.15198    45542.305    45542.305   -1311.3099   -1311.3099 
Loop time of 122.228 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.707 ns/day, 33.952 hours/ns, 8.181 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    | 121.48     | 121.48     | 121.48     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087167   | 0.087167   | 0.087167   |   0.0 |  0.07
Output  | 0.00012667 | 0.00012667 | 0.00012667 |   0.0 |  0.00
Modify  | 0.57075    | 0.57075    | 0.57075    |   0.0 |  0.47
Other   |            | 0.08776    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24654e+06 ave 1.24654e+06 max 1.24654e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246544
Ave neighs/atom = 155.81800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.870743308474, Press = -3.83907458311269
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -58452.268   -58452.268   -58716.083   -58716.083    255.15198    255.15198    45542.305    45542.305   -1311.3099   -1311.3099 
   26000   -58457.404   -58457.404   -58720.935   -58720.935    254.87756    254.87756    45508.488    45508.488    1719.6957    1719.6957 
Loop time of 144.316 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.599 ns/day, 40.088 hours/ns, 6.929 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    | 143.48     | 143.48     | 143.48     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0956     | 0.0956     | 0.0956     |   0.0 |  0.07
Output  | 0.00013576 | 0.00013576 | 0.00013576 |   0.0 |  0.00
Modify  | 0.65339    | 0.65339    | 0.65339    |   0.0 |  0.45
Other   |            | 0.09109    |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24587e+06 ave 1.24587e+06 max 1.24587e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245872
Ave neighs/atom = 155.73400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.900629222995, Press = -1.41473303645907
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58457.404   -58457.404   -58720.935   -58720.935    254.87756    254.87756    45508.488    45508.488    1719.6957    1719.6957 
   27000   -58451.248   -58451.248   -58715.937   -58715.937    255.99726    255.99726    45544.407    45544.407   -1526.2746   -1526.2746 
Loop time of 125.894 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.686 ns/day, 34.971 hours/ns, 7.943 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    | 125.13     | 125.13     | 125.13     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.089029   | 0.089029   | 0.089029   |   0.0 |  0.07
Output  | 0.00012607 | 0.00012607 | 0.00012607 |   0.0 |  0.00
Modify  | 0.58645    | 0.58645    | 0.58645    |   0.0 |  0.47
Other   |            | 0.08896    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24701e+06 ave 1.24701e+06 max 1.24701e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247014
Ave neighs/atom = 155.87675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.965369087069, Press = -1.27551815309914
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -58451.248   -58451.248   -58715.937   -58715.937    255.99726    255.99726    45544.407    45544.407   -1526.2746   -1526.2746 
   28000   -58456.045   -58456.045   -58717.529   -58717.529    252.89764    252.89764    45515.162    45515.162    1185.4976    1185.4976 
Loop time of 124.05 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.696 ns/day, 34.458 hours/ns, 8.061 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    | 123.3      | 123.3      | 123.3      |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.08878    | 0.08878    | 0.08878    |   0.0 |  0.07
Output  | 0.00012349 | 0.00012349 | 0.00012349 |   0.0 |  0.00
Modify  | 0.57559    | 0.57559    | 0.57559    |   0.0 |  0.46
Other   |            | 0.08473    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24588e+06 ave 1.24588e+06 max 1.24588e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245880
Ave neighs/atom = 155.73500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.991962107379, Press = -4.95146363726777
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58456.045   -58456.045   -58717.529   -58717.529    252.89764    252.89764    45515.162    45515.162    1185.4976    1185.4976 
   29000   -58459.997   -58459.997   -58718.999   -58718.999    250.49721    250.49721    45502.945    45502.945    2213.3323    2213.3323 
Loop time of 128.574 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.672 ns/day, 35.715 hours/ns, 7.778 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    | 127.81     | 127.81     | 127.81     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.089592   | 0.089592   | 0.089592   |   0.0 |  0.07
Output  | 0.00012562 | 0.00012562 | 0.00012562 |   0.0 |  0.00
Modify  | 0.59205    | 0.59205    | 0.59205    |   0.0 |  0.46
Other   |            | 0.08515    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24683e+06 ave 1.24683e+06 max 1.24683e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246826
Ave neighs/atom = 155.85325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.99875662005, Press = 2.8611854931406
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -58459.997   -58459.997   -58718.999   -58718.999    250.49721    250.49721    45502.945    45502.945    2213.3323    2213.3323 
   30000   -58454.475   -58454.475    -58717.26    -58717.26    254.15554    254.15554    45554.175    45554.175   -2550.7532   -2550.7532 
Loop time of 130.367 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.663 ns/day, 36.213 hours/ns, 7.671 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    | 129.59     | 129.59     | 129.59     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.090773   | 0.090773   | 0.090773   |   0.0 |  0.07
Output  | 0.00012573 | 0.00012573 | 0.00012573 |   0.0 |  0.00
Modify  | 0.60111    | 0.60111    | 0.60111    |   0.0 |  0.46
Other   |            | 0.08593    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24723e+06 ave 1.24723e+06 max 1.24723e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247226
Ave neighs/atom = 155.90325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.975224808617, Press = -2.60529093957462
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -58454.475   -58454.475    -58717.26    -58717.26    254.15554    254.15554    45554.175    45554.175   -2550.7532   -2550.7532 
   31000   -58461.544   -58461.544   -58720.434   -58720.434    250.38883    250.38883    45502.469    45502.469      2168.45      2168.45 
Loop time of 130.69 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.661 ns/day, 36.303 hours/ns, 7.652 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    | 129.91     | 129.91     | 129.91     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.090989   | 0.090989   | 0.090989   |   0.0 |  0.07
Output  | 0.00013578 | 0.00013578 | 0.00013578 |   0.0 |  0.00
Modify  | 0.60353    | 0.60353    | 0.60353    |   0.0 |  0.46
Other   |            | 0.08665    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24552e+06 ave 1.24552e+06 max 1.24552e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245522
Ave neighs/atom = 155.69025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.938945559918, Press = -1.86027881362317
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -58461.544   -58461.544   -58720.434   -58720.434    250.38883    250.38883    45502.469    45502.469      2168.45      2168.45 
   32000    -58460.43    -58460.43   -58724.176   -58724.176    255.08547    255.08547    45535.655    45535.655   -982.75485   -982.75485 
Loop time of 130.679 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.661 ns/day, 36.300 hours/ns, 7.652 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    | 129.9      | 129.9      | 129.9      |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.090937   | 0.090937   | 0.090937   |   0.0 |  0.07
Output  | 0.00013393 | 0.00013393 | 0.00013393 |   0.0 |  0.00
Modify  | 0.60172    | 0.60172    | 0.60172    |   0.0 |  0.46
Other   |            | 0.08574    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24749e+06 ave 1.24749e+06 max 1.24749e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247486
Ave neighs/atom = 155.93575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.938345605902, Press = 0.0609935302975839
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000    -58460.43    -58460.43   -58724.176   -58724.176    255.08547    255.08547    45535.655    45535.655   -982.75485   -982.75485 
   33000   -58456.399   -58456.399   -58719.835   -58719.835    254.78513    254.78513    45535.436    45535.436    -827.7446    -827.7446 
Loop time of 130.745 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.661 ns/day, 36.318 hours/ns, 7.648 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    | 129.96     | 129.96     | 129.96     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.091654   | 0.091654   | 0.091654   |   0.0 |  0.07
Output  | 0.00012707 | 0.00012707 | 0.00012707 |   0.0 |  0.00
Modify  | 0.60273    | 0.60273    | 0.60273    |   0.0 |  0.46
Other   |            | 0.08661    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24649e+06 ave 1.24649e+06 max 1.24649e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246494
Ave neighs/atom = 155.81175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.949299235096, Press = -3.38302834901687
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -58456.399   -58456.399   -58719.835   -58719.835    254.78513    254.78513    45535.436    45535.436    -827.7446    -827.7446 
   34000   -58457.678   -58457.678   -58719.023   -58719.023    252.76258    252.76258    45478.756    45478.756    4579.5059    4579.5059 
Loop time of 130.165 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.664 ns/day, 36.157 hours/ns, 7.683 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    | 129.39     | 129.39     | 129.39     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.091108   | 0.091108   | 0.091108   |   0.0 |  0.07
Output  | 0.00012279 | 0.00012279 | 0.00012279 |   0.0 |  0.00
Modify  | 0.59932    | 0.59932    | 0.59932    |   0.0 |  0.46
Other   |            | 0.08615    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24648e+06 ave 1.24648e+06 max 1.24648e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246478
Ave neighs/atom = 155.80975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.943511386615, Press = 1.06539754866272
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -58457.678   -58457.678   -58719.023   -58719.023    252.76258    252.76258    45478.756    45478.756    4579.5059    4579.5059 
   35000   -58464.868   -58464.868   -58723.933   -58723.933    250.55757    250.55757    45558.519    45558.519   -3365.1954   -3365.1954 
Loop time of 138.32 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.625 ns/day, 38.422 hours/ns, 7.230 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.51     | 137.51     | 137.51     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093701   | 0.093701   | 0.093701   |   0.0 |  0.07
Output  | 0.00012363 | 0.00012363 | 0.00012363 |   0.0 |  0.00
Modify  | 0.62724    | 0.62724    | 0.62724    |   0.0 |  0.45
Other   |            | 0.08948    |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24792e+06 ave 1.24792e+06 max 1.24792e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247924
Ave neighs/atom = 155.99050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.933507247547, Press = -0.984454389465576
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58464.868   -58464.868   -58723.933   -58723.933    250.55757    250.55757    45558.519    45558.519   -3365.1954   -3365.1954 
   36000   -58453.098   -58453.098   -58718.399   -58718.399    256.58909    256.58909     45516.33     45516.33    950.58398    950.58398 
Loop time of 122.689 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.704 ns/day, 34.080 hours/ns, 8.151 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    | 121.96     | 121.96     | 121.96     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.086598   | 0.086598   | 0.086598   |   0.0 |  0.07
Output  | 0.00013399 | 0.00013399 | 0.00013399 |   0.0 |  0.00
Modify  | 0.56277    | 0.56277    | 0.56277    |   0.0 |  0.46
Other   |            | 0.08174    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24603e+06 ave 1.24603e+06 max 1.24603e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246026
Ave neighs/atom = 155.75325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.917778941747, Press = -1.97389759020577
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58453.098   -58453.098   -58718.399   -58718.399    256.58909    256.58909     45516.33     45516.33    950.58398    950.58398 
   37000   -58460.136   -58460.136   -58722.996   -58722.996    254.22821    254.22821    45525.314    45525.314   -43.406448   -43.406448 
Loop time of 122.802 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.704 ns/day, 34.112 hours/ns, 8.143 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    | 122.07     | 122.07     | 122.07     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.086242   | 0.086242   | 0.086242   |   0.0 |  0.07
Output  | 0.00012672 | 0.00012672 | 0.00012672 |   0.0 |  0.00
Modify  | 0.56159    | 0.56159    | 0.56159    |   0.0 |  0.46
Other   |            | 0.08065    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24671e+06 ave 1.24671e+06 max 1.24671e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246706
Ave neighs/atom = 155.83825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.924650631816, Press = -0.00538016783404103
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -58460.136   -58460.136   -58722.996   -58722.996    254.22821    254.22821    45525.314    45525.314   -43.406448   -43.406448 
   38000   -58453.856   -58453.856   -58715.335   -58715.335    252.89309    252.89309    45544.243    45544.243   -1473.4599   -1473.4599 
Loop time of 122.328 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.706 ns/day, 33.980 hours/ns, 8.175 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    | 121.6      | 121.6      | 121.6      |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.085922   | 0.085922   | 0.085922   |   0.0 |  0.07
Output  | 0.00012604 | 0.00012604 | 0.00012604 |   0.0 |  0.00
Modify  | 0.5591     | 0.5591     | 0.5591     |   0.0 |  0.46
Other   |            | 0.081      |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24685e+06 ave 1.24685e+06 max 1.24685e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246852
Ave neighs/atom = 155.85650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.924358773628, Press = -2.30644208590541
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -58453.856   -58453.856   -58715.335   -58715.335    252.89309    252.89309    45544.243    45544.243   -1473.4599   -1473.4599 
   39000   -58459.183   -58459.183   -58721.793   -58721.793    253.98722    253.98722    45478.397    45478.397    4491.9588    4491.9588 
Loop time of 122.227 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.707 ns/day, 33.952 hours/ns, 8.182 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    | 121.5      | 121.5      | 121.5      |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.086476   | 0.086476   | 0.086476   |   0.0 |  0.07
Output  | 0.00012586 | 0.00012586 | 0.00012586 |   0.0 |  0.00
Modify  | 0.56131    | 0.56131    | 0.56131    |   0.0 |  0.46
Other   |            | 0.08062    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24578e+06 ave 1.24578e+06 max 1.24578e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245782
Ave neighs/atom = 155.72275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.911451548007, Press = -0.363368563982008
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58459.183   -58459.183   -58721.793   -58721.793    253.98722    253.98722    45478.397    45478.397    4491.9588    4491.9588 
   40000    -58455.89    -58455.89   -58719.221   -58719.221    254.68408    254.68408    45562.904    45562.904   -3406.2424   -3406.2424 
Loop time of 122.666 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.704 ns/day, 34.074 hours/ns, 8.152 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    | 121.93     | 121.93     | 121.93     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.086067   | 0.086067   | 0.086067   |   0.0 |  0.07
Output  | 0.00011047 | 0.00011047 | 0.00011047 |   0.0 |  0.00
Modify  | 0.56138    | 0.56138    | 0.56138    |   0.0 |  0.46
Other   |            | 0.08497    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24822e+06 ave 1.24822e+06 max 1.24822e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1248216
Ave neighs/atom = 156.02700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.900830331403, Press = 0.404167159331424
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000    -58455.89    -58455.89   -58719.221   -58719.221    254.68408    254.68408    45562.904    45562.904   -3406.2424   -3406.2424 
   41000   -58454.616   -58454.616   -58715.671   -58715.671    252.48207    252.48207    45524.026    45524.026     452.2561     452.2561 
Loop time of 122.598 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.055 hours/ns, 8.157 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    | 121.87     | 121.87     | 121.87     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.086195   | 0.086195   | 0.086195   |   0.0 |  0.07
Output  | 0.00012218 | 0.00012218 | 0.00012218 |   0.0 |  0.00
Modify  | 0.5607     | 0.5607     | 0.5607     |   0.0 |  0.46
Other   |            | 0.08068    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24555e+06 ave 1.24555e+06 max 1.24555e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245554
Ave neighs/atom = 155.69425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.878748682967, Press = -1.81710862175537
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58454.616   -58454.616   -58715.671   -58715.671    252.48207    252.48207    45524.026    45524.026     452.2561     452.2561 
   42000   -58460.211   -58460.211   -58718.954   -58718.954    250.24652    250.24652    45518.847    45518.847    643.74195    643.74195 
Loop time of 122.098 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.708 ns/day, 33.916 hours/ns, 8.190 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    | 121.37     | 121.37     | 121.37     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.08652    | 0.08652    | 0.08652    |   0.0 |  0.07
Output  | 0.00012442 | 0.00012442 | 0.00012442 |   0.0 |  0.00
Modify  | 0.56013    | 0.56013    | 0.56013    |   0.0 |  0.46
Other   |            | 0.08059    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24640e+06 ave  1.2464e+06 max  1.2464e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246396
Ave neighs/atom = 155.79950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.888455183621, Press = -0.134890178854199
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58460.211   -58460.211   -58718.954   -58718.954    250.24652    250.24652    45518.847    45518.847    643.74195    643.74195 
   43000   -58452.484   -58452.484   -58715.385   -58715.385    254.26759    254.26759    45551.846    45551.846   -2128.9318   -2128.9318 
Loop time of 122.463 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.706 ns/day, 34.017 hours/ns, 8.166 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    | 121.73     | 121.73     | 121.73     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.086866   | 0.086866   | 0.086866   |   0.0 |  0.07
Output  | 0.00013554 | 0.00013554 | 0.00013554 |   0.0 |  0.00
Modify  | 0.5609     | 0.5609     | 0.5609     |   0.0 |  0.46
Other   |            | 0.08078    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24685e+06 ave 1.24685e+06 max 1.24685e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246852
Ave neighs/atom = 155.85650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.917464769078, Press = -1.51933483259616
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -58452.484   -58452.484   -58715.385   -58715.385    254.26759    254.26759    45551.846    45551.846   -2128.9318   -2128.9318 
   44000   -58457.237   -58457.237   -58716.595   -58716.595    250.84207    250.84207    45487.275    45487.275     3935.935     3935.935 
Loop time of 122.561 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.045 hours/ns, 8.159 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    | 121.81     | 121.81     | 121.81     |   0.0 | 99.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087618   | 0.087618   | 0.087618   |   0.0 |  0.07
Output  | 0.00013102 | 0.00013102 | 0.00013102 |   0.0 |  0.00
Modify  | 0.57167    | 0.57167    | 0.57167    |   0.0 |  0.47
Other   |            | 0.09525    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24589e+06 ave 1.24589e+06 max 1.24589e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245890
Ave neighs/atom = 155.73625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.939037160695, Press = -1.30810373445014
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -58457.237   -58457.237   -58716.595   -58716.595    250.84207    250.84207    45487.275    45487.275     3935.935     3935.935 
   45000   -58456.371   -58456.371   -58718.896   -58718.896    253.90472    253.90472    45546.669    45546.669   -1762.7833   -1762.7833 
Loop time of 122.572 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.048 hours/ns, 8.158 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    | 121.83     | 121.83     | 121.83     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.088043   | 0.088043   | 0.088043   |   0.0 |  0.07
Output  | 0.00023767 | 0.00023767 | 0.00023767 |   0.0 |  0.00
Modify  | 0.56365    | 0.56365    | 0.56365    |   0.0 |  0.46
Other   |            | 0.08697    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24801e+06 ave 1.24801e+06 max 1.24801e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1248012
Ave neighs/atom = 156.00150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.955679019058, Press = 0.84662577102944
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58456.371   -58456.371   -58718.896   -58718.896    253.90472    253.90472    45546.669    45546.669   -1762.7833   -1762.7833 
   46000   -58456.887   -58456.887   -58715.289   -58715.289    249.91731    249.91731    45529.624    45529.624   -74.483466   -74.483466 
Loop time of 122.252 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.707 ns/day, 33.959 hours/ns, 8.180 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    | 121.51     | 121.51     | 121.51     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.088214   | 0.088214   | 0.088214   |   0.0 |  0.07
Output  | 0.00013461 | 0.00013461 | 0.00013461 |   0.0 |  0.00
Modify  | 0.56535    | 0.56535    | 0.56535    |   0.0 |  0.46
Other   |            | 0.08867    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24615e+06 ave 1.24615e+06 max 1.24615e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246154
Ave neighs/atom = 155.76925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.944628649978, Press = -1.54886339516513
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -58456.887   -58456.887   -58715.289   -58715.289    249.91731    249.91731    45529.624    45529.624   -74.483466   -74.483466 
   47000   -58465.068   -58465.068   -58723.174   -58723.174    249.63066    249.63066    45514.258    45514.258    994.89638    994.89638 
Loop time of 122.303 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.706 ns/day, 33.973 hours/ns, 8.176 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    | 121.56     | 121.56     | 121.56     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.088412   | 0.088412   | 0.088412   |   0.0 |  0.07
Output  | 0.00013462 | 0.00013462 | 0.00013462 |   0.0 |  0.00
Modify  | 0.56407    | 0.56407    | 0.56407    |   0.0 |  0.46
Other   |            | 0.0861     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24627e+06 ave 1.24627e+06 max 1.24627e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246266
Ave neighs/atom = 155.78325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.935480008457, Press = -0.391237358289035
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -58465.068   -58465.068   -58723.174   -58723.174    249.63066    249.63066    45514.258    45514.258    994.89638    994.89638 
   48000   -58454.577   -58454.577   -58718.087   -58718.087      254.857      254.857    45543.773    45543.773   -1424.3852   -1424.3852 
Loop time of 122.091 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.708 ns/day, 33.914 hours/ns, 8.191 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    | 121.35     | 121.35     | 121.35     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.088018   | 0.088018   | 0.088018   |   0.0 |  0.07
Output  | 0.00023944 | 0.00023944 | 0.00023944 |   0.0 |  0.00
Modify  | 0.56465    | 0.56465    | 0.56465    |   0.0 |  0.46
Other   |            | 0.08869    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24697e+06 ave 1.24697e+06 max 1.24697e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246968
Ave neighs/atom = 155.87100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.922907566051, Press = -0.814788777352982
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58454.577   -58454.577   -58718.087   -58718.087      254.857      254.857    45543.773    45543.773   -1424.3852   -1424.3852 
   49000    -58459.47    -58459.47   -58717.926   -58717.926    249.96899    249.96899    45510.381    45510.381    1578.7012    1578.7012 
Loop time of 122.976 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.703 ns/day, 34.160 hours/ns, 8.132 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    | 122.23     | 122.23     | 122.23     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.088628   | 0.088628   | 0.088628   |   0.0 |  0.07
Output  | 0.00013877 | 0.00013877 | 0.00013877 |   0.0 |  0.00
Modify  | 0.56695    | 0.56695    | 0.56695    |   0.0 |  0.46
Other   |            | 0.08844    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24586e+06 ave 1.24586e+06 max 1.24586e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245862
Ave neighs/atom = 155.73275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.910644569765, Press = -1.69302584820841
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000    -58459.47    -58459.47   -58717.926   -58717.926    249.96899    249.96899    45510.381    45510.381    1578.7012    1578.7012 
   50000   -58453.608   -58453.608   -58715.587   -58715.587    253.37621    253.37621    45529.058    45529.058   -72.716703   -72.716703 
Loop time of 122.722 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.704 ns/day, 34.089 hours/ns, 8.149 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 121.99     | 121.99     | 121.99     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087271   | 0.087271   | 0.087271   |   0.0 |  0.07
Output  | 0.00021531 | 0.00021531 | 0.00021531 |   0.0 |  0.00
Modify  | 0.56044    | 0.56044    | 0.56044    |   0.0 |  0.46
Other   |            | 0.08336    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24687e+06 ave 1.24687e+06 max 1.24687e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246870
Ave neighs/atom = 155.85875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.90931419056, Press = 0.98677847488888
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -58453.608   -58453.608   -58715.587   -58715.587    253.37621    253.37621    45529.058    45529.058   -72.716703   -72.716703 
   51000   -58459.774   -58459.774   -58716.262   -58716.262    248.06515    248.06515    45544.297    45544.297   -1630.3615   -1630.3615 
Loop time of 122.621 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.061 hours/ns, 8.155 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    | 121.89     | 121.89     | 121.89     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087562   | 0.087562   | 0.087562   |   0.0 |  0.07
Output  | 0.00012234 | 0.00012234 | 0.00012234 |   0.0 |  0.00
Modify  | 0.55961    | 0.55961    | 0.55961    |   0.0 |  0.46
Other   |            | 0.08424    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24616e+06 ave 1.24616e+06 max 1.24616e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246162
Ave neighs/atom = 155.77025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.900811080448, Press = -1.93176173321721
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58459.774   -58459.774   -58716.262   -58716.262    248.06515    248.06515    45544.297    45544.297   -1630.3615   -1630.3615 
   52000   -58458.903   -58458.903   -58721.775   -58721.775    254.23983    254.23983    45502.071    45502.071    2305.5623    2305.5623 
Loop time of 122.5 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.028 hours/ns, 8.163 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    | 121.77     | 121.77     | 121.77     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087171   | 0.087171   | 0.087171   |   0.0 |  0.07
Output  | 0.00013251 | 0.00013251 | 0.00013251 |   0.0 |  0.00
Modify  | 0.56078    | 0.56078    | 0.56078    |   0.0 |  0.46
Other   |            | 0.08366    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24586e+06 ave 1.24586e+06 max 1.24586e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245858
Ave neighs/atom = 155.73225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.90835799161, Press = -0.286838847701047
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -58458.903   -58458.903   -58721.775   -58721.775    254.23983    254.23983    45502.071    45502.071    2305.5623    2305.5623 
   53000   -58457.551   -58457.551   -58722.155   -58722.155    255.91483    255.91483    45547.663    45547.663   -2012.8959   -2012.8959 
Loop time of 123.079 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.702 ns/day, 34.189 hours/ns, 8.125 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    | 122.35     | 122.35     | 122.35     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087297   | 0.087297   | 0.087297   |   0.0 |  0.07
Output  | 0.00012568 | 0.00012568 | 0.00012568 |   0.0 |  0.00
Modify  | 0.55847    | 0.55847    | 0.55847    |   0.0 |  0.45
Other   |            | 0.08414    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24755e+06 ave 1.24755e+06 max 1.24755e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247546
Ave neighs/atom = 155.94325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.888198471635, Press = -0.432046478145158
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -58457.551   -58457.551   -58722.155   -58722.155    255.91483    255.91483    45547.663    45547.663   -2012.8959   -2012.8959 
   54000   -58460.796   -58460.796   -58717.639   -58717.639    248.40881    248.40881    45515.772    45515.772    1064.7108    1064.7108 
Loop time of 122.712 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.704 ns/day, 34.087 hours/ns, 8.149 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 121.98     | 121.98     | 121.98     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087384   | 0.087384   | 0.087384   |   0.0 |  0.07
Output  | 0.00012843 | 0.00012843 | 0.00012843 |   0.0 |  0.00
Modify  | 0.56074    | 0.56074    | 0.56074    |   0.0 |  0.46
Other   |            | 0.08363    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24607e+06 ave 1.24607e+06 max 1.24607e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246074
Ave neighs/atom = 155.75925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.886437346512, Press = -1.6325445258502
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58460.796   -58460.796   -58717.639   -58717.639    248.40881    248.40881    45515.772    45515.772    1064.7108    1064.7108 
   55000   -58455.118   -58455.118    -58716.12    -58716.12    252.43137    252.43137    45519.205    45519.205    930.08069    930.08069 
Loop time of 122.63 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.064 hours/ns, 8.155 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    | 121.9      | 121.9      | 121.9      |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087377   | 0.087377   | 0.087377   |   0.0 |  0.07
Output  | 0.00013556 | 0.00013556 | 0.00013556 |   0.0 |  0.00
Modify  | 0.55909    | 0.55909    | 0.55909    |   0.0 |  0.46
Other   |            | 0.0847     |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24668e+06 ave 1.24668e+06 max 1.24668e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246682
Ave neighs/atom = 155.83525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.87263229431, Press = 0.495966157574207
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -58455.118   -58455.118    -58716.12    -58716.12    252.43137    252.43137    45519.205    45519.205    930.08069    930.08069 
   56000   -58457.859   -58457.859    -58721.69    -58721.69    255.16701    255.16701    45554.363    45554.363   -2836.3646   -2836.3646 
Loop time of 122.517 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.032 hours/ns, 8.162 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    | 121.79     | 121.79     | 121.79     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087342   | 0.087342   | 0.087342   |   0.0 |  0.07
Output  | 0.00013172 | 0.00013172 | 0.00013172 |   0.0 |  0.00
Modify  | 0.55813    | 0.55813    | 0.55813    |   0.0 |  0.46
Other   |            | 0.08384    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24658e+06 ave 1.24658e+06 max 1.24658e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246582
Ave neighs/atom = 155.82275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.87443773184, Press = -1.44854217426486
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58457.859   -58457.859    -58721.69    -58721.69    255.16701    255.16701    45554.363    45554.363   -2836.3646   -2836.3646 
   57000   -58455.145   -58455.145   -58716.387   -58716.387    252.66361    252.66361    45500.303    45500.303    2654.8762    2654.8762 
Loop time of 122.89 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.703 ns/day, 34.136 hours/ns, 8.137 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    | 122.15     | 122.15     | 122.15     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087052   | 0.087052   | 0.087052   |   0.0 |  0.07
Output  | 0.00024641 | 0.00024641 | 0.00024641 |   0.0 |  0.00
Modify  | 0.56105    | 0.56105    | 0.56105    |   0.0 |  0.46
Other   |            | 0.08736    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24573e+06 ave 1.24573e+06 max 1.24573e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245726
Ave neighs/atom = 155.71575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.892897014856, Press = -0.648689168617413
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -58455.145   -58455.145   -58716.387   -58716.387    252.66361    252.66361    45500.303    45500.303    2654.8762    2654.8762 
   58000   -58452.704   -58452.704   -58718.831   -58718.831    257.38842    257.38842    45541.011    45541.011    -1334.821    -1334.821 
Loop time of 122.949 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.703 ns/day, 34.153 hours/ns, 8.133 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    | 122.22     | 122.22     | 122.22     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087843   | 0.087843   | 0.087843   |   0.0 |  0.07
Output  | 0.00013297 | 0.00013297 | 0.00013297 |   0.0 |  0.00
Modify  | 0.55877    | 0.55877    | 0.55877    |   0.0 |  0.45
Other   |            | 0.08385    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24701e+06 ave 1.24701e+06 max 1.24701e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247012
Ave neighs/atom = 155.87650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.902661246411, Press = -0.0222004765585802
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -58452.704   -58452.704   -58718.831   -58718.831    257.38842    257.38842    45541.011    45541.011    -1334.821    -1334.821 
   59000   -58456.216   -58456.216   -58716.715   -58716.715    251.94458    251.94458    45527.388    45527.388   -7.4217232   -7.4217232 
Loop time of 122.079 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.708 ns/day, 33.911 hours/ns, 8.191 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    | 121.34     | 121.34     | 121.34     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.088358   | 0.088358   | 0.088358   |   0.0 |  0.07
Output  | 0.00014412 | 0.00014412 | 0.00014412 |   0.0 |  0.00
Modify  | 0.5632     | 0.5632     | 0.5632     |   0.0 |  0.46
Other   |            | 0.08526    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24616e+06 ave 1.24616e+06 max 1.24616e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246164
Ave neighs/atom = 155.77050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.934638192886, Press = -1.14941669199307
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -58456.216   -58456.216   -58716.715   -58716.715    251.94458    251.94458    45527.388    45527.388   -7.4217232   -7.4217232 
   60000   -58453.119   -58453.119    -58717.18    -58717.18    255.38951    255.38951    45525.404    45525.404    211.20608    211.20608 
Loop time of 122.273 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.707 ns/day, 33.965 hours/ns, 8.178 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 121.52     | 121.52     | 121.52     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.089959   | 0.089959   | 0.089959   |   0.0 |  0.07
Output  | 0.00012452 | 0.00012452 | 0.00012452 |   0.0 |  0.00
Modify  | 0.57588    | 0.57588    | 0.57588    |   0.0 |  0.47
Other   |            | 0.08544    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24640e+06 ave  1.2464e+06 max  1.2464e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246396
Ave neighs/atom = 155.79950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.948979177779, Press = -0.276978616611947
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -58453.119   -58453.119    -58717.18    -58717.18    255.38951    255.38951    45525.404    45525.404    211.20608    211.20608 
   61000   -58460.063   -58460.063   -58715.872   -58715.872      247.409      247.409    45531.149    45531.149   -361.43873   -361.43873 
Loop time of 122.928 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.703 ns/day, 34.147 hours/ns, 8.135 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    | 122.2      | 122.2      | 122.2      |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.086958   | 0.086958   | 0.086958   |   0.0 |  0.07
Output  | 0.00014138 | 0.00014138 | 0.00014138 |   0.0 |  0.00
Modify  | 0.55906    | 0.55906    | 0.55906    |   0.0 |  0.45
Other   |            | 0.08468    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24646e+06 ave 1.24646e+06 max 1.24646e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246458
Ave neighs/atom = 155.80725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.966500176831, Press = -0.756785047023146
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -58460.063   -58460.063   -58715.872   -58715.872      247.409      247.409    45531.149    45531.149   -361.43873   -361.43873 
   62000   -58452.892   -58452.892   -58717.219   -58717.219    255.64802    255.64802    45526.191    45526.191    295.09422    295.09422 
Loop time of 122.525 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.035 hours/ns, 8.162 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    | 121.79     | 121.79     | 121.79     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087764   | 0.087764   | 0.087764   |   0.0 |  0.07
Output  | 0.00013482 | 0.00013482 | 0.00013482 |   0.0 |  0.00
Modify  | 0.55894    | 0.55894    | 0.55894    |   0.0 |  0.46
Other   |            | 0.08434    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24626e+06 ave 1.24626e+06 max 1.24626e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246260
Ave neighs/atom = 155.78250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.972501890646, Press = -0.579195916177902
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -58452.892   -58452.892   -58717.219   -58717.219    255.64802    255.64802    45526.191    45526.191    295.09422    295.09422 
   63000   -58459.123   -58459.123   -58723.728   -58723.728    255.91593    255.91593    45525.654    45525.654   -39.867555   -39.867555 
Loop time of 122.486 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.024 hours/ns, 8.164 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    | 121.76     | 121.76     | 121.76     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087124   | 0.087124   | 0.087124   |   0.0 |  0.07
Output  | 0.00012883 | 0.00012883 | 0.00012883 |   0.0 |  0.00
Modify  | 0.55863    | 0.55863    | 0.55863    |   0.0 |  0.46
Other   |            | 0.08269    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24645e+06 ave 1.24645e+06 max 1.24645e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246448
Ave neighs/atom = 155.80600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.968961807695, Press = -0.585750991767395
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -58459.123   -58459.123   -58723.728   -58723.728    255.91593    255.91593    45525.654    45525.654   -39.867555   -39.867555 
   64000   -58453.887   -58453.887   -58716.992   -58716.992    254.46534    254.46534    45529.058    45529.058   -138.31104   -138.31104 
Loop time of 122.215 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.707 ns/day, 33.949 hours/ns, 8.182 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    | 121.49     | 121.49     | 121.49     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087518   | 0.087518   | 0.087518   |   0.0 |  0.07
Output  | 0.00012241 | 0.00012241 | 0.00012241 |   0.0 |  0.00
Modify  | 0.55733    | 0.55733    | 0.55733    |   0.0 |  0.46
Other   |            | 0.08373    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24677e+06 ave 1.24677e+06 max 1.24677e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246770
Ave neighs/atom = 155.84625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.95867790593, Press = -0.658530141334771
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -58453.887   -58453.887   -58716.992   -58716.992    254.46534    254.46534    45529.058    45529.058   -138.31104   -138.31104 
   65000   -58460.152   -58460.152   -58718.544   -58718.544    249.90776    249.90776    45525.463    45525.463    43.037849    43.037849 
Loop time of 122.509 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.030 hours/ns, 8.163 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    | 121.78     | 121.78     | 121.78     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.08754    | 0.08754    | 0.08754    |   0.0 |  0.07
Output  | 0.00012544 | 0.00012544 | 0.00012544 |   0.0 |  0.00
Modify  | 0.55856    | 0.55856    | 0.55856    |   0.0 |  0.46
Other   |            | 0.08312    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24627e+06 ave 1.24627e+06 max 1.24627e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246274
Ave neighs/atom = 155.78425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.942655402739, Press = -0.502384371322298
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -58460.152   -58460.152   -58718.544   -58718.544    249.90776    249.90776    45525.463    45525.463    43.037849    43.037849 
   66000   -58458.146   -58458.146   -58717.833   -58717.833    251.15929    251.15929    45532.951    45532.951   -566.02586   -566.02586 
Loop time of 122.975 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.703 ns/day, 34.160 hours/ns, 8.132 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    | 122.24     | 122.24     | 122.24     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087782   | 0.087782   | 0.087782   |   0.0 |  0.07
Output  | 0.00014433 | 0.00014433 | 0.00014433 |   0.0 |  0.00
Modify  | 0.55922    | 0.55922    | 0.55922    |   0.0 |  0.45
Other   |            | 0.08342    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24626e+06 ave 1.24626e+06 max 1.24626e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246256
Ave neighs/atom = 155.78200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.941962761779, Press = -0.796935236577143
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -58458.146   -58458.146   -58717.833   -58717.833    251.15929    251.15929    45532.951    45532.951   -566.02586   -566.02586 
   67000   -58456.786   -58456.786   -58719.073   -58719.073    253.67422    253.67422    45514.358    45514.358    1306.9857    1306.9857 
Loop time of 122.032 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.708 ns/day, 33.898 hours/ns, 8.195 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    | 121.3      | 121.3      | 121.3      |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.086817   | 0.086817   | 0.086817   |   0.0 |  0.07
Output  | 0.00025242 | 0.00025242 | 0.00025242 |   0.0 |  0.00
Modify  | 0.55904    | 0.55904    | 0.55904    |   0.0 |  0.46
Other   |            | 0.08355    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24617e+06 ave 1.24617e+06 max 1.24617e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246170
Ave neighs/atom = 155.77125
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.934097151524, Press = -0.659212321892689
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -58456.786   -58456.786   -58719.073   -58719.073    253.67422    253.67422    45514.358    45514.358    1306.9857    1306.9857 
   68000   -58459.986   -58459.986   -58717.905   -58717.905    249.44971    249.44971    45538.476    45538.476   -1214.7511   -1214.7511 
Loop time of 123.941 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.697 ns/day, 34.428 hours/ns, 8.068 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    | 123.17     | 123.17     | 123.17     |   0.0 | 99.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.090578   | 0.090578   | 0.090578   |   0.0 |  0.07
Output  | 0.00013545 | 0.00013545 | 0.00013545 |   0.0 |  0.00
Modify  | 0.58218    | 0.58218    | 0.58218    |   0.0 |  0.47
Other   |            | 0.0989     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24691e+06 ave 1.24691e+06 max 1.24691e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246914
Ave neighs/atom = 155.86425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.940658774927, Press = -0.0876787825660248
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -58459.986   -58459.986   -58717.905   -58717.905    249.44971    249.44971    45538.476    45538.476   -1214.7511   -1214.7511 
   69000   -58455.609   -58455.609   -58718.417   -58718.417    254.17831    254.17831    45532.572    45532.572   -525.72384   -525.72384 
Loop time of 122.393 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.706 ns/day, 33.998 hours/ns, 8.170 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    | 121.65     | 121.65     | 121.65     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.08703    | 0.08703    | 0.08703    |   0.0 |  0.07
Output  | 0.00013763 | 0.00013763 | 0.00013763 |   0.0 |  0.00
Modify  | 0.56532    | 0.56532    | 0.56532    |   0.0 |  0.46
Other   |            | 0.09069    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24592e+06 ave 1.24592e+06 max 1.24592e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245922
Ave neighs/atom = 155.74025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.939449167475, Press = -1.6855092735467
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -58455.609   -58455.609   -58718.417   -58718.417    254.17831    254.17831    45532.572    45532.572   -525.72384   -525.72384 
   70000   -58461.356   -58461.356   -58719.292   -58719.292    249.46687    249.46687    45497.697    45497.697    2809.6542    2809.6542 
Loop time of 122.779 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.704 ns/day, 34.105 hours/ns, 8.145 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    | 122.01     | 122.01     | 122.01     |   0.0 | 99.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087673   | 0.087673   | 0.087673   |   0.0 |  0.07
Output  | 0.00013051 | 0.00013051 | 0.00013051 |   0.0 |  0.00
Modify  | 0.57999    | 0.57999    | 0.57999    |   0.0 |  0.47
Other   |            | 0.1025     |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24621e+06 ave 1.24621e+06 max 1.24621e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246212
Ave neighs/atom = 155.77650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.922554363486, Press = 0.257134222178777
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -58461.356   -58461.356   -58719.292   -58719.292    249.46687    249.46687    45497.697    45497.697    2809.6542    2809.6542 
   71000   -58455.297   -58455.297   -58716.788   -58716.788    252.90486    252.90486    45550.938    45550.938   -2169.8385   -2169.8385 
Loop time of 122.37 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.706 ns/day, 33.992 hours/ns, 8.172 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    | 121.62     | 121.62     | 121.62     |   0.0 | 99.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087124   | 0.087124   | 0.087124   |   0.0 |  0.07
Output  | 0.0001335  | 0.0001335  | 0.0001335  |   0.0 |  0.00
Modify  | 0.5695     | 0.5695     | 0.5695     |   0.0 |  0.47
Other   |            | 0.09333    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24749e+06 ave 1.24749e+06 max 1.24749e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247494
Ave neighs/atom = 155.93675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.914935856029, Press = -0.645731109411931
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -58455.297   -58455.297   -58716.788   -58716.788    252.90486    252.90486    45550.938    45550.938   -2169.8385   -2169.8385 
   72000   -58451.549   -58451.549   -58716.647   -58716.647    256.39298    256.39298    45523.959    45523.959    536.99461    536.99461 
Loop time of 122.276 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.707 ns/day, 33.965 hours/ns, 8.178 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 121.52     | 121.52     | 121.52     |   0.0 | 99.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.089564   | 0.089564   | 0.089564   |   0.0 |  0.07
Output  | 0.00010996 | 0.00010996 | 0.00010996 |   0.0 |  0.00
Modify  | 0.57559    | 0.57559    | 0.57559    |   0.0 |  0.47
Other   |            | 0.09272    |            |       |  0.08

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24547e+06 ave 1.24547e+06 max 1.24547e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1245468
Ave neighs/atom = 155.68350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.911186624464, Press = -0.741879668190969
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -58451.549   -58451.549   -58716.647   -58716.647    256.39298    256.39298    45523.959    45523.959    536.99461    536.99461 
   73000   -58458.681   -58458.681   -58719.364   -58719.364    252.12248    252.12248    45526.217    45526.217    100.83426    100.83426 
Loop time of 122.637 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.705 ns/day, 34.066 hours/ns, 8.154 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    | 121.9      | 121.9      | 121.9      |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087723   | 0.087723   | 0.087723   |   0.0 |  0.07
Output  | 0.00012605 | 0.00012605 | 0.00012605 |   0.0 |  0.00
Modify  | 0.56505    | 0.56505    | 0.56505    |   0.0 |  0.46
Other   |            | 0.08638    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24637e+06 ave 1.24637e+06 max 1.24637e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246370
Ave neighs/atom = 155.79625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.924579061846, Press = -0.338407332506512
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -58458.681   -58458.681   -58719.364   -58719.364    252.12248    252.12248    45526.217    45526.217    100.83426    100.83426 
   74000   -58455.504   -58455.504   -58718.302   -58718.302    254.16848    254.16848    45538.246    45538.246   -1051.1983   -1051.1983 
Loop time of 122.684 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.704 ns/day, 34.079 hours/ns, 8.151 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    | 121.95     | 121.95     | 121.95     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.086788   | 0.086788   | 0.086788   |   0.0 |  0.07
Output  | 0.00012454 | 0.00012454 | 0.00012454 |   0.0 |  0.00
Modify  | 0.56191    | 0.56191    | 0.56191    |   0.0 |  0.46
Other   |            | 0.08509    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24667e+06 ave 1.24667e+06 max 1.24667e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246668
Ave neighs/atom = 155.83350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.945368163395, Press = -0.872180019121527
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -58455.504   -58455.504   -58718.302   -58718.302    254.16848    254.16848    45538.246    45538.246   -1051.1983   -1051.1983 
   75000   -58452.096   -58452.096   -58715.357   -58715.357    254.61547    254.61547    45498.189    45498.189    2953.3706    2953.3706 
Loop time of 122.994 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.702 ns/day, 34.165 hours/ns, 8.130 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    | 122.26     | 122.26     | 122.26     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.087281   | 0.087281   | 0.087281   |   0.0 |  0.07
Output  | 0.00012425 | 0.00012425 | 0.00012425 |   0.0 |  0.00
Modify  | 0.56356    | 0.56356    | 0.56356    |   0.0 |  0.46
Other   |            | 0.08599    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24634e+06 ave 1.24634e+06 max 1.24634e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1246338
Ave neighs/atom = 155.79225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.954984132007, Press = -0.562186965277073
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.86 | 15.86 | 15.86 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -58452.096   -58452.096   -58715.357   -58715.357    254.61547    254.61547    45498.189    45498.189    2953.3706    2953.3706 
   76000   -58458.071   -58458.071   -58719.616   -58719.616    252.95692    252.95692    45551.295    45551.295   -2429.9349   -2429.9349 
Loop time of 122.132 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.707 ns/day, 33.926 hours/ns, 8.188 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    | 121.41     | 121.41     | 121.41     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.086549   | 0.086549   | 0.086549   |   0.0 |  0.07
Output  | 0.00013649 | 0.00013649 | 0.00013649 |   0.0 |  0.00
Modify  | 0.55627    | 0.55627    | 0.55627    |   0.0 |  0.46
Other   |            | 0.08387    |            |       |  0.07

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.24704e+06 ave 1.24704e+06 max 1.24704e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1247040
Ave neighs/atom = 155.88000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
45527.0704446957

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0