# 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 3.029959537088871*${_u_distance}
variable latticeconst_converted equal 3.029959537088871*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  3.02995953708887
Lattice spacing in x,y,z = 3.0299595 3.0299595 3.0299595
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 (30.299595 30.299595 30.299595)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (30.299595 30.299595 30.299595)
  create_atoms CPU = 0.002 seconds

variable mass_converted equal 50.9415*${_u_mass}
variable mass_converted equal 50.9415*1

kim_interactions V

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

kim interactions V
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_Olsson_2009_V__MO_944449444863_000
pair_coeff * * V
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 50.9415

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 27817.0125570601    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 27817.0125570601/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 27817.0125570601/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 27817.0125570601/(1*1*${_u_distance})
variable      V0_metal equal 27817.0125570601/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 27817.0125570601*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 27817.0125570601 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_944449444863_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -10539.085   -10539.085       -10620       -10620       313.15       313.15    27817.013    27817.013     3106.995     3106.995 
    1000    -10458.26    -10458.26    -10538.94    -10538.94    312.23755    312.23755    28303.501    28303.501    1601.3966    1601.3966 
Loop time of 15.2567 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.663 ns/day, 4.238 hours/ns, 65.545 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.686     | 14.686     | 14.686     |   0.0 | 96.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10834    | 0.10834    | 0.10834    |   0.0 |  0.71
Output  | 0.00034856 | 0.00034856 | 0.00034856 |   0.0 |  0.00
Modify  | 0.39643    | 0.39643    | 0.39643    |   0.0 |  2.60
Other   |            | 0.0651     |            |       |  0.43

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

Total # of neighbors = 128000
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000    -10458.26    -10458.26    -10538.94    -10538.94    312.23755    312.23755    28303.501    28303.501    1601.3966    1601.3966 
    2000   -10456.156   -10456.156   -10538.152   -10538.152    317.33362    317.33362    28329.872    28329.872    157.49927    157.49927 
Loop time of 13.9162 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.209 ns/day, 3.866 hours/ns, 71.859 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.425     | 13.425     | 13.425     |   0.0 | 96.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094437   | 0.094437   | 0.094437   |   0.0 |  0.68
Output  | 0.00019449 | 0.00019449 | 0.00019449 |   0.0 |  0.00
Modify  | 0.33592    | 0.33592    | 0.33592    |   0.0 |  2.41
Other   |            | 0.06065    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137820.0 ave      137820 max      137820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137820
Ave neighs/atom = 68.910000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -10456.156   -10456.156   -10538.152   -10538.152    317.33362    317.33362    28329.872    28329.872    157.49927    157.49927 
    3000   -10460.562   -10460.562   -10539.957   -10539.957    307.26601    307.26601    28344.145    28344.145   -1207.3214   -1207.3214 
Loop time of 13.8148 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.254 ns/day, 3.837 hours/ns, 72.386 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.327     | 13.327     | 13.327     |   0.0 | 96.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094295   | 0.094295   | 0.094295   |   0.0 |  0.68
Output  | 0.00018894 | 0.00018894 | 0.00018894 |   0.0 |  0.00
Modify  | 0.3335     | 0.3335     | 0.3335     |   0.0 |  2.41
Other   |            | 0.06027    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137694.0 ave      137694 max      137694 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137694
Ave neighs/atom = 68.847000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -10460.562   -10460.562   -10539.957   -10539.957    307.26601    307.26601    28344.145    28344.145   -1207.3214   -1207.3214 
    4000   -10455.383   -10455.383   -10538.143   -10538.143    320.28797    320.28797    28330.921    28330.921    185.40364    185.40364 
Loop time of 13.7942 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.263 ns/day, 3.832 hours/ns, 72.494 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.306     | 13.306     | 13.306     |   0.0 | 96.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093903   | 0.093903   | 0.093903   |   0.0 |  0.68
Output  | 0.00019101 | 0.00019101 | 0.00019101 |   0.0 |  0.00
Modify  | 0.33334    | 0.33334    | 0.33334    |   0.0 |  2.42
Other   |            | 0.06057    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137362.0 ave      137362 max      137362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137362
Ave neighs/atom = 68.681000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -10455.383   -10455.383   -10538.143   -10538.143    320.28797    320.28797    28330.921    28330.921    185.40364    185.40364 
    5000   -10459.342   -10459.342   -10539.235   -10539.235    309.19267    309.19267     28320.83     28320.83    424.92037    424.92037 
Loop time of 13.7872 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.267 ns/day, 3.830 hours/ns, 72.531 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.298     | 13.298     | 13.298     |   0.0 | 96.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094104   | 0.094104   | 0.094104   |   0.0 |  0.68
Output  | 0.00015308 | 0.00015308 | 0.00015308 |   0.0 |  0.00
Modify  | 0.33481    | 0.33481    | 0.33481    |   0.0 |  2.43
Other   |            | 0.06006    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137580.0 ave      137580 max      137580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137580
Ave neighs/atom = 68.790000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 310.185941560809, Press = 16.0045122888619
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -10459.342   -10459.342   -10539.235   -10539.235    309.19267    309.19267     28320.83     28320.83    424.92037    424.92037 
    6000   -10457.189   -10457.189   -10539.299   -10539.299    317.77435    317.77435    28312.059    28312.059    708.13933    708.13933 
Loop time of 13.8417 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.242 ns/day, 3.845 hours/ns, 72.246 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.336     | 13.336     | 13.336     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093856   | 0.093856   | 0.093856   |   0.0 |  0.68
Output  | 0.00019814 | 0.00019814 | 0.00019814 |   0.0 |  0.00
Modify  | 0.35117    | 0.35117    | 0.35117    |   0.0 |  2.54
Other   |            | 0.06044    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137632.0 ave      137632 max      137632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137632
Ave neighs/atom = 68.816000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.884659429272, Press = 2.92130447358842
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -10457.189   -10457.189   -10539.299   -10539.299    317.77435    317.77435    28312.059    28312.059    708.13933    708.13933 
    7000   -10458.355   -10458.355   -10539.253   -10539.253    313.08591    313.08591    28303.738    28303.738    1218.7715    1218.7715 
Loop time of 13.8417 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.242 ns/day, 3.845 hours/ns, 72.246 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.337     | 13.337     | 13.337     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094171   | 0.094171   | 0.094171   |   0.0 |  0.68
Output  | 0.00019318 | 0.00019318 | 0.00019318 |   0.0 |  0.00
Modify  | 0.35026    | 0.35026    | 0.35026    |   0.0 |  2.53
Other   |            | 0.06018    |            |       |  0.43

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137640.0 ave      137640 max      137640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137640
Ave neighs/atom = 68.820000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.594431881702, Press = 7.14616898179004
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -10458.355   -10458.355   -10539.253   -10539.253    313.08591    313.08591    28303.738    28303.738    1218.7715    1218.7715 
    8000   -10459.003   -10459.003   -10539.428   -10539.428    311.25125    311.25125    28308.278    28308.278    1149.2479    1149.2479 
Loop time of 13.8234 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.250 ns/day, 3.840 hours/ns, 72.341 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.319     | 13.319     | 13.319     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094006   | 0.094006   | 0.094006   |   0.0 |  0.68
Output  | 0.00020225 | 0.00020225 | 0.00020225 |   0.0 |  0.00
Modify  | 0.34952    | 0.34952    | 0.34952    |   0.0 |  2.53
Other   |            | 0.06038    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137612.0 ave      137612 max      137612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137612
Ave neighs/atom = 68.806000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.730322029917, Press = 9.56497988489265
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -10459.003   -10459.003   -10539.428   -10539.428    311.25125    311.25125    28308.278    28308.278    1149.2479    1149.2479 
    9000   -10456.437   -10456.437   -10536.125   -10536.125    308.40179    308.40179    28301.531    28301.531    2266.2008    2266.2008 
Loop time of 13.8363 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.244 ns/day, 3.843 hours/ns, 72.273 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.331     | 13.331     | 13.331     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09415    | 0.09415    | 0.09415    |   0.0 |  0.68
Output  | 0.0001556  | 0.0001556  | 0.0001556  |   0.0 |  0.00
Modify  | 0.3499     | 0.3499     | 0.3499     |   0.0 |  2.53
Other   |            | 0.06082    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137796.0 ave      137796 max      137796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137796
Ave neighs/atom = 68.898000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.411529060124, Press = 17.5136974404417
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -10456.437   -10456.437   -10536.125   -10536.125    308.40179    308.40179    28301.531    28301.531    2266.2008    2266.2008 
   10000   -10457.831   -10457.831   -10538.524   -10538.524    312.29213    312.29213    28348.333    28348.333   -930.08697   -930.08697 
Loop time of 13.842 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.242 ns/day, 3.845 hours/ns, 72.244 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.333     | 13.333     | 13.333     |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093911   | 0.093911   | 0.093911   |   0.0 |  0.68
Output  | 0.00015292 | 0.00015292 | 0.00015292 |   0.0 |  0.00
Modify  | 0.354      | 0.354      | 0.354      |   0.0 |  2.56
Other   |            | 0.06109    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      138108.0 ave      138108 max      138108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138108
Ave neighs/atom = 69.054000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.776996143806, Press = 19.3175048136828
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -10457.831   -10457.831   -10538.524   -10538.524    312.29213    312.29213    28348.333    28348.333   -930.08697   -930.08697 
   11000   -10458.127   -10458.127   -10537.728   -10537.728    308.06382    308.06382     28348.19     28348.19   -678.63304   -678.63304 
Loop time of 13.8049 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.259 ns/day, 3.835 hours/ns, 72.438 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.301     | 13.301     | 13.301     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093904   | 0.093904   | 0.093904   |   0.0 |  0.68
Output  | 0.00015617 | 0.00015617 | 0.00015617 |   0.0 |  0.00
Modify  | 0.34984    | 0.34984    | 0.34984    |   0.0 |  2.53
Other   |            | 0.06018    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137280.0 ave      137280 max      137280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137280
Ave neighs/atom = 68.640000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.431276566907, Press = 3.23386737854726
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -10458.127   -10458.127   -10537.728   -10537.728    308.06382    308.06382     28348.19     28348.19   -678.63304   -678.63304 
   12000   -10453.958   -10453.958   -10538.592   -10538.592    327.54235    327.54235    28363.928    28363.928   -1567.4897   -1567.4897 
Loop time of 13.8242 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.250 ns/day, 3.840 hours/ns, 72.337 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.32      | 13.32      | 13.32      |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093888   | 0.093888   | 0.093888   |   0.0 |  0.68
Output  | 0.00019665 | 0.00019665 | 0.00019665 |   0.0 |  0.00
Modify  | 0.35007    | 0.35007    | 0.35007    |   0.0 |  2.53
Other   |            | 0.06029    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137370.0 ave      137370 max      137370 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137370
Ave neighs/atom = 68.685000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.621753177304, Press = -1.83606306753021
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -10453.958   -10453.958   -10538.592   -10538.592    327.54235    327.54235    28363.928    28363.928   -1567.4897   -1567.4897 
   13000   -10458.608   -10458.608   -10541.169   -10541.169    319.51968    319.51968    28361.974    28361.974   -1902.0919   -1902.0919 
Loop time of 13.8114 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.256 ns/day, 3.837 hours/ns, 72.404 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.307     | 13.307     | 13.307     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094144   | 0.094144   | 0.094144   |   0.0 |  0.68
Output  | 0.00015705 | 0.00015705 | 0.00015705 |   0.0 |  0.00
Modify  | 0.34958    | 0.34958    | 0.34958    |   0.0 |  2.53
Other   |            | 0.06024    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137182.0 ave      137182 max      137182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137182
Ave neighs/atom = 68.591000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.544203342162, Press = -6.2102948591299
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -10458.608   -10458.608   -10541.169   -10541.169    319.51968    319.51968    28361.974    28361.974   -1902.0919   -1902.0919 
   14000   -10454.805   -10454.805   -10538.399   -10538.399    323.51719    323.51719    28319.949    28319.949    1104.8991    1104.8991 
Loop time of 13.7835 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.268 ns/day, 3.829 hours/ns, 72.551 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.278     | 13.278     | 13.278     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094262   | 0.094262   | 0.094262   |   0.0 |  0.68
Output  | 0.00015467 | 0.00015467 | 0.00015467 |   0.0 |  0.00
Modify  | 0.3499     | 0.3499     | 0.3499     |   0.0 |  2.54
Other   |            | 0.06106    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      136780.0 ave      136780 max      136780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136780
Ave neighs/atom = 68.390000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.749506121277, Press = -4.533135174229
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -10454.805   -10454.805   -10538.399   -10538.399    323.51719    323.51719    28319.949    28319.949    1104.8991    1104.8991 
   15000   -10460.066   -10460.066   -10540.981   -10540.981     313.1498     313.1498    28289.934    28289.934    2003.0725    2003.0725 
Loop time of 13.8243 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.250 ns/day, 3.840 hours/ns, 72.337 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.32      | 13.32      | 13.32      |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093953   | 0.093953   | 0.093953   |   0.0 |  0.68
Output  | 0.00015411 | 0.00015411 | 0.00015411 |   0.0 |  0.00
Modify  | 0.34982    | 0.34982    | 0.34982    |   0.0 |  2.53
Other   |            | 0.06019    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137712.0 ave      137712 max      137712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137712
Ave neighs/atom = 68.856000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.65496271509, Press = -0.185714128496713
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -10460.066   -10460.066   -10540.981   -10540.981     313.1498     313.1498    28289.934    28289.934    2003.0725    2003.0725 
   16000   -10457.296   -10457.296   -10537.834   -10537.834    311.69027    311.69027    28304.568    28304.568    1650.6492    1650.6492 
Loop time of 13.8174 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.253 ns/day, 3.838 hours/ns, 72.373 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.313     | 13.313     | 13.313     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093419   | 0.093419   | 0.093419   |   0.0 |  0.68
Output  | 0.00015357 | 0.00015357 | 0.00015357 |   0.0 |  0.00
Modify  | 0.35017    | 0.35017    | 0.35017    |   0.0 |  2.53
Other   |            | 0.06021    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137704.0 ave      137704 max      137704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137704
Ave neighs/atom = 68.852000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.48756973505, Press = -0.0151119597389664
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -10457.296   -10457.296   -10537.834   -10537.834    311.69027    311.69027    28304.568    28304.568    1650.6492    1650.6492 
   17000   -10453.382   -10453.382   -10536.557   -10536.557     321.8986     321.8986    28339.016    28339.016    308.86292    308.86292 
Loop time of 13.837 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.244 ns/day, 3.844 hours/ns, 72.270 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.331     | 13.331     | 13.331     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094167   | 0.094167   | 0.094167   |   0.0 |  0.68
Output  | 0.00015477 | 0.00015477 | 0.00015477 |   0.0 |  0.00
Modify  | 0.35074    | 0.35074    | 0.35074    |   0.0 |  2.53
Other   |            | 0.06086    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      138048.0 ave      138048 max      138048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138048
Ave neighs/atom = 69.024000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.385143343963, Press = 1.98780379760755
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -10453.382   -10453.382   -10536.557   -10536.557     321.8986     321.8986    28339.016    28339.016    308.86292    308.86292 
   18000    -10458.85    -10458.85   -10539.147   -10539.147    310.75862    310.75862    28329.845    28329.845    146.47562    146.47562 
Loop time of 13.8465 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.240 ns/day, 3.846 hours/ns, 72.220 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.343     | 13.343     | 13.343     |   0.0 | 96.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094278   | 0.094278   | 0.094278   |   0.0 |  0.68
Output  | 0.00015652 | 0.00015652 | 0.00015652 |   0.0 |  0.00
Modify  | 0.34894    | 0.34894    | 0.34894    |   0.0 |  2.52
Other   |            | 0.06051    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137610.0 ave      137610 max      137610 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137610
Ave neighs/atom = 68.805000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.396591510318, Press = 2.0086651621134
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000    -10458.85    -10458.85   -10539.147   -10539.147    310.75862    310.75862    28329.845    28329.845    146.47562    146.47562 
   19000   -10454.431   -10454.431   -10537.776   -10537.776    322.55276    322.55276    28372.876    28372.876   -1652.8861   -1652.8861 
Loop time of 13.8024 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.260 ns/day, 3.834 hours/ns, 72.451 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.299     | 13.299     | 13.299     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094001   | 0.094001   | 0.094001   |   0.0 |  0.68
Output  | 0.00015734 | 0.00015734 | 0.00015734 |   0.0 |  0.00
Modify  | 0.34951    | 0.34951    | 0.34951    |   0.0 |  2.53
Other   |            | 0.06018    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137472.0 ave      137472 max      137472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137472
Ave neighs/atom = 68.736000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.4900703743, Press = 1.47780156035149
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -10454.431   -10454.431   -10537.776   -10537.776    322.55276    322.55276    28372.876    28372.876   -1652.8861   -1652.8861 
   20000   -10460.683   -10460.683   -10540.707   -10540.707    309.70205    309.70205    28393.376    28393.376   -3811.4689   -3811.4689 
Loop time of 13.8063 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.258 ns/day, 3.835 hours/ns, 72.431 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.302     | 13.302     | 13.302     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09424    | 0.09424    | 0.09424    |   0.0 |  0.68
Output  | 0.00019997 | 0.00019997 | 0.00019997 |   0.0 |  0.00
Modify  | 0.34917    | 0.34917    | 0.34917    |   0.0 |  2.53
Other   |            | 0.06031    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137092.0 ave      137092 max      137092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137092
Ave neighs/atom = 68.546000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.462167631935, Press = -2.7485500984859
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -10460.683   -10460.683   -10540.707   -10540.707    309.70205    309.70205    28393.376    28393.376   -3811.4689   -3811.4689 
   21000   -10458.005   -10458.005   -10537.714   -10537.714    308.48415    308.48415    28385.214    28385.214   -2644.0924   -2644.0924 
Loop time of 13.7892 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.266 ns/day, 3.830 hours/ns, 72.520 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.285     | 13.285     | 13.285     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094041   | 0.094041   | 0.094041   |   0.0 |  0.68
Output  | 0.00015494 | 0.00015494 | 0.00015494 |   0.0 |  0.00
Modify  | 0.34907    | 0.34907    | 0.34907    |   0.0 |  2.53
Other   |            | 0.06082    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      136844.0 ave      136844 max      136844 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136844
Ave neighs/atom = 68.422000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.424743760012, Press = -4.97637594406308
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -10458.005   -10458.005   -10537.714   -10537.714    308.48415    308.48415    28385.214    28385.214   -2644.0924   -2644.0924 
   22000   -10459.657   -10459.657   -10539.044   -10539.044     307.2351     307.2351    28320.846    28320.846    465.76458    465.76458 
Loop time of 13.7993 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.261 ns/day, 3.833 hours/ns, 72.468 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.295     | 13.295     | 13.295     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093663   | 0.093663   | 0.093663   |   0.0 |  0.68
Output  | 0.00015861 | 0.00015861 | 0.00015861 |   0.0 |  0.00
Modify  | 0.35009    | 0.35009    | 0.35009    |   0.0 |  2.54
Other   |            | 0.06038    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137142.0 ave      137142 max      137142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137142
Ave neighs/atom = 68.571000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.361354179214, Press = -2.34911751236216
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -10459.657   -10459.657   -10539.044   -10539.044     307.2351     307.2351    28320.846    28320.846    465.76458    465.76458 
   23000   -10454.633   -10454.633   -10538.107   -10538.107    323.05228    323.05228    28332.583    28332.583     346.3986     346.3986 
Loop time of 13.8375 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.244 ns/day, 3.844 hours/ns, 72.268 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.334     | 13.334     | 13.334     |   0.0 | 96.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094052   | 0.094052   | 0.094052   |   0.0 |  0.68
Output  | 0.00015644 | 0.00015644 | 0.00015644 |   0.0 |  0.00
Modify  | 0.34931    | 0.34931    | 0.34931    |   0.0 |  2.52
Other   |            | 0.06007    |            |       |  0.43

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137770.0 ave      137770 max      137770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137770
Ave neighs/atom = 68.885000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.399351044252, Press = -0.544488560776691
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -10454.633   -10454.633   -10538.107   -10538.107    323.05228    323.05228    28332.583    28332.583     346.3986     346.3986 
   24000    -10456.77    -10456.77   -10538.607   -10538.607    316.71771    316.71771    28303.016    28303.016    1453.1077    1453.1077 
Loop time of 13.8242 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.250 ns/day, 3.840 hours/ns, 72.337 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.32      | 13.32      | 13.32      |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094223   | 0.094223   | 0.094223   |   0.0 |  0.68
Output  | 0.00020199 | 0.00020199 | 0.00020199 |   0.0 |  0.00
Modify  | 0.34921    | 0.34921    | 0.34921    |   0.0 |  2.53
Other   |            | 0.0608     |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137484.0 ave      137484 max      137484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137484
Ave neighs/atom = 68.742000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.296343781233, Press = -0.660215872954958
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000    -10456.77    -10456.77   -10538.607   -10538.607    316.71771    316.71771    28303.016    28303.016    1453.1077    1453.1077 
   25000   -10459.266   -10459.266   -10538.601   -10538.601    307.03258    307.03258     28312.31     28312.31    1123.0637    1123.0637 
Loop time of 13.8345 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.245 ns/day, 3.843 hours/ns, 72.283 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.325     | 13.325     | 13.325     |   0.0 | 96.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094764   | 0.094764   | 0.094764   |   0.0 |  0.68
Output  | 0.00015686 | 0.00015686 | 0.00015686 |   0.0 |  0.00
Modify  | 0.35402    | 0.35402    | 0.35402    |   0.0 |  2.56
Other   |            | 0.06089    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137886.0 ave      137886 max      137886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137886
Ave neighs/atom = 68.943000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.180379475811, Press = -0.00623103234633285
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -10459.266   -10459.266   -10538.601   -10538.601    307.03258    307.03258     28312.31     28312.31    1123.0637    1123.0637 
   26000   -10458.285   -10458.285   -10535.832   -10535.832    300.11351    300.11351    28297.069    28297.069    2369.3773    2369.3773 
Loop time of 13.8239 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.250 ns/day, 3.840 hours/ns, 72.338 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.32      | 13.32      | 13.32      |   0.0 | 96.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093919   | 0.093919   | 0.093919   |   0.0 |  0.68
Output  | 0.000156   | 0.000156   | 0.000156   |   0.0 |  0.00
Modify  | 0.34904    | 0.34904    | 0.34904    |   0.0 |  2.52
Other   |            | 0.0604     |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137516.0 ave      137516 max      137516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137516
Ave neighs/atom = 68.758000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 314.024285165235, Press = 2.64252929760901
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -10458.285   -10458.285   -10535.832   -10535.832    300.11351    300.11351    28297.069    28297.069    2369.3773    2369.3773 
   27000   -10456.671   -10456.671   -10538.162   -10538.162    315.37909    315.37909    28360.057    28360.057   -1136.1777   -1136.1777 
Loop time of 13.8143 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.254 ns/day, 3.837 hours/ns, 72.389 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.309     | 13.309     | 13.309     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094193   | 0.094193   | 0.094193   |   0.0 |  0.68
Output  | 0.00019666 | 0.00019666 | 0.00019666 |   0.0 |  0.00
Modify  | 0.34984    | 0.34984    | 0.34984    |   0.0 |  2.53
Other   |            | 0.06097    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      138026.0 ave      138026 max      138026 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138026
Ave neighs/atom = 69.013000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.994690540233, Press = 2.02955255071617
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -10456.671   -10456.671   -10538.162   -10538.162    315.37909    315.37909    28360.057    28360.057   -1136.1777   -1136.1777 
   28000   -10459.273   -10459.273   -10538.399   -10538.399    306.22425    306.22425    28377.764    28377.764   -2444.3327   -2444.3327 
Loop time of 13.8047 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.259 ns/day, 3.835 hours/ns, 72.439 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.302     | 13.302     | 13.302     |   0.0 | 96.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094191   | 0.094191   | 0.094191   |   0.0 |  0.68
Output  | 0.00019021 | 0.00019021 | 0.00019021 |   0.0 |  0.00
Modify  | 0.34852    | 0.34852    | 0.34852    |   0.0 |  2.52
Other   |            | 0.05991    |            |       |  0.43

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137322.0 ave      137322 max      137322 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137322
Ave neighs/atom = 68.661000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.85124778591, Press = 1.18083905581431
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -10459.273   -10459.273   -10538.399   -10538.399    306.22425    306.22425    28377.764    28377.764   -2444.3327   -2444.3327 
   29000   -10456.237   -10456.237   -10537.688   -10537.688    315.22373    315.22373    28364.243    28364.243   -1305.6863   -1305.6863 
Loop time of 13.7822 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.269 ns/day, 3.828 hours/ns, 72.557 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.277     | 13.277     | 13.277     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093901   | 0.093901   | 0.093901   |   0.0 |  0.68
Output  | 0.00015454 | 0.00015454 | 0.00015454 |   0.0 |  0.00
Modify  | 0.35011    | 0.35011    | 0.35011    |   0.0 |  2.54
Other   |            | 0.06093    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137124.0 ave      137124 max      137124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137124
Ave neighs/atom = 68.562000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.714177024523, Press = -0.11320623237329
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -10456.237   -10456.237   -10537.688   -10537.688    315.22373    315.22373    28364.243    28364.243   -1305.6863   -1305.6863 
   30000    -10459.15    -10459.15   -10538.633   -10538.633    307.60442    307.60442    28346.832    28346.832   -1156.7432   -1156.7432 
Loop time of 13.8104 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.256 ns/day, 3.836 hours/ns, 72.409 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.306     | 13.306     | 13.306     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0944     | 0.0944     | 0.0944     |   0.0 |  0.68
Output  | 0.00015477 | 0.00015477 | 0.00015477 |   0.0 |  0.00
Modify  | 0.34903    | 0.34903    | 0.34903    |   0.0 |  2.53
Other   |            | 0.06057    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137358.0 ave      137358 max      137358 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137358
Ave neighs/atom = 68.679000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.617387719286, Press = 0.395233654751283
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000    -10459.15    -10459.15   -10538.633   -10538.633    307.60442    307.60442    28346.832    28346.832   -1156.7432   -1156.7432 
   31000   -10454.957   -10454.957   -10535.161   -10535.161    310.39622    310.39622    28353.199    28353.199   -503.97634   -503.97634 
Loop time of 13.8041 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.259 ns/day, 3.834 hours/ns, 72.442 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.301     | 13.301     | 13.301     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093997   | 0.093997   | 0.093997   |   0.0 |  0.68
Output  | 0.00018955 | 0.00018955 | 0.00018955 |   0.0 |  0.00
Modify  | 0.34887    | 0.34887    | 0.34887    |   0.0 |  2.53
Other   |            | 0.06013    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137474.0 ave      137474 max      137474 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137474
Ave neighs/atom = 68.737000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.601009362092, Press = -0.713887287790004
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -10454.957   -10454.957   -10535.161   -10535.161    310.39622    310.39622    28353.199    28353.199   -503.97634   -503.97634 
   32000   -10458.769   -10458.769   -10539.657   -10539.657    313.04452    313.04452    28337.766    28337.766   -166.80515   -166.80515 
Loop time of 13.805 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.259 ns/day, 3.835 hours/ns, 72.438 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.301     | 13.301     | 13.301     |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094105   | 0.094105   | 0.094105   |   0.0 |  0.68
Output  | 0.00015509 | 0.00015509 | 0.00015509 |   0.0 |  0.00
Modify  | 0.34878    | 0.34878    | 0.34878    |   0.0 |  2.53
Other   |            | 0.06045    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137448.0 ave      137448 max      137448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137448
Ave neighs/atom = 68.724000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.633372633322, Press = -0.823266637575175
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -10458.769   -10458.769   -10539.657   -10539.657    313.04452    313.04452    28337.766    28337.766   -166.80515   -166.80515 
   33000   -10457.928   -10457.928   -10540.057   -10540.057    317.84946    317.84946    28347.801    28347.801   -898.85152   -898.85152 
Loop time of 13.8044 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.259 ns/day, 3.835 hours/ns, 72.441 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.3       | 13.3       | 13.3       |   0.0 | 96.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09401    | 0.09401    | 0.09401    |   0.0 |  0.68
Output  | 0.00015338 | 0.00015338 | 0.00015338 |   0.0 |  0.00
Modify  | 0.34977    | 0.34977    | 0.34977    |   0.0 |  2.53
Other   |            | 0.06058    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137362.0 ave      137362 max      137362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137362
Ave neighs/atom = 68.681000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.718082843839, Press = -2.3937613644829
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -10457.928   -10457.928   -10540.057   -10540.057    317.84946    317.84946    28347.801    28347.801   -898.85152   -898.85152 
   34000   -10455.991   -10455.991    -10538.45    -10538.45    319.12526    319.12526    28320.946    28320.946    920.48194    920.48194 
Loop time of 13.8171 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.253 ns/day, 3.838 hours/ns, 72.374 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.307     | 13.307     | 13.307     |   0.0 | 96.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095369   | 0.095369   | 0.095369   |   0.0 |  0.69
Output  | 0.00015768 | 0.00015768 | 0.00015768 |   0.0 |  0.00
Modify  | 0.35401    | 0.35401    | 0.35401    |   0.0 |  2.56
Other   |            | 0.06096    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137034.0 ave      137034 max      137034 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137034
Ave neighs/atom = 68.517000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.695344583817, Press = -2.69227720124442
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -10455.991   -10455.991    -10538.45    -10538.45    319.12526    319.12526    28320.946    28320.946    920.48194    920.48194 
   35000   -10460.684   -10460.684   -10539.643   -10539.643    305.58003    305.58003    28278.977    28278.977    2432.1072    2432.1072 
Loop time of 13.8294 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.248 ns/day, 3.842 hours/ns, 72.310 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.321     | 13.321     | 13.321     |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095278   | 0.095278   | 0.095278   |   0.0 |  0.69
Output  | 0.00015519 | 0.00015519 | 0.00015519 |   0.0 |  0.00
Modify  | 0.35225    | 0.35225    | 0.35225    |   0.0 |  2.55
Other   |            | 0.06118    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137622.0 ave      137622 max      137622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137622
Ave neighs/atom = 68.811000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.682847676249, Press = -0.487369422428829
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -10460.684   -10460.684   -10539.643   -10539.643    305.58003    305.58003    28278.977    28278.977    2432.1072    2432.1072 
   36000   -10457.035   -10457.035   -10538.965   -10538.965    317.07522    317.07522    28273.688    28273.688    3204.9991    3204.9991 
Loop time of 13.8504 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.238 ns/day, 3.847 hours/ns, 72.200 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.337     | 13.337     | 13.337     |   0.0 | 96.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094387   | 0.094387   | 0.094387   |   0.0 |  0.68
Output  | 0.00015749 | 0.00015749 | 0.00015749 |   0.0 |  0.00
Modify  | 0.35741    | 0.35741    | 0.35741    |   0.0 |  2.58
Other   |            | 0.0612     |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137852.0 ave      137852 max      137852 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137852
Ave neighs/atom = 68.926000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.586181058638, Press = 1.00737889252995
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -10457.035   -10457.035   -10538.965   -10538.965    317.07522    317.07522    28273.688    28273.688    3204.9991    3204.9991 
   37000   -10460.183   -10460.183    -10540.65    -10540.65    311.41638    311.41638     28315.13     28315.13    323.22177    323.22177 
Loop time of 13.8832 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.223 ns/day, 3.856 hours/ns, 72.029 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.376     | 13.376     | 13.376     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094781   | 0.094781   | 0.094781   |   0.0 |  0.68
Output  | 0.00020314 | 0.00020314 | 0.00020314 |   0.0 |  0.00
Modify  | 0.35186    | 0.35186    | 0.35186    |   0.0 |  2.53
Other   |            | 0.06062    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      138214.0 ave      138214 max      138214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138214
Ave neighs/atom = 69.107000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.528397690465, Press = 0.699744289742382
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -10460.183   -10460.183    -10540.65    -10540.65    311.41638    311.41638     28315.13     28315.13    323.22177    323.22177 
   38000   -10458.856   -10458.856   -10538.121   -10538.121    306.76452    306.76452    28345.204    28345.204   -852.46714   -852.46714 
Loop time of 13.8328 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.246 ns/day, 3.842 hours/ns, 72.292 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.322     | 13.322     | 13.322     |   0.0 | 96.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094862   | 0.094862   | 0.094862   |   0.0 |  0.69
Output  | 0.0001542  | 0.0001542  | 0.0001542  |   0.0 |  0.00
Modify  | 0.35436    | 0.35436    | 0.35436    |   0.0 |  2.56
Other   |            | 0.06121    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137588.0 ave      137588 max      137588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137588
Ave neighs/atom = 68.794000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.55930402451, Press = 0.749799371907356
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -10458.856   -10458.856   -10538.121   -10538.121    306.76452    306.76452    28345.204    28345.204   -852.46714   -852.46714 
   39000   -10454.011   -10454.011   -10535.589   -10535.589    315.71563    315.71563     28362.85     28362.85   -896.97802   -896.97802 
Loop time of 13.8528 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.237 ns/day, 3.848 hours/ns, 72.188 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    | 13.339     | 13.339     | 13.339     |   0.0 | 96.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094769   | 0.094769   | 0.094769   |   0.0 |  0.68
Output  | 0.00015745 | 0.00015745 | 0.00015745 |   0.0 |  0.00
Modify  | 0.3571     | 0.3571     | 0.3571     |   0.0 |  2.58
Other   |            | 0.0614     |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137422.0 ave      137422 max      137422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137422
Ave neighs/atom = 68.711000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.60507660658, Press = 0.0683028239205664
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -10454.011   -10454.011   -10535.589   -10535.589    315.71563    315.71563     28362.85     28362.85   -896.97802   -896.97802 
   40000    -10458.71    -10458.71   -10539.543   -10539.543    312.83042    312.83042     28402.17     28402.17   -4164.5314   -4164.5314 
Loop time of 13.8503 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.238 ns/day, 3.847 hours/ns, 72.201 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.338     | 13.338     | 13.338     |   0.0 | 96.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094832   | 0.094832   | 0.094832   |   0.0 |  0.68
Output  | 0.00015557 | 0.00015557 | 0.00015557 |   0.0 |  0.00
Modify  | 0.35588    | 0.35588    | 0.35588    |   0.0 |  2.57
Other   |            | 0.06144    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137488.0 ave      137488 max      137488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137488
Ave neighs/atom = 68.744000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.635598321047, Press = -1.17609353960745
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000    -10458.71    -10458.71   -10539.543   -10539.543    312.83042    312.83042     28402.17     28402.17   -4164.5314   -4164.5314 
   41000   -10462.076   -10462.076   -10538.108   -10538.108    294.25183    294.25183    28367.251    28367.251   -1769.5954   -1769.5954 
Loop time of 13.8363 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.244 ns/day, 3.843 hours/ns, 72.274 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.327     | 13.327     | 13.327     |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094277   | 0.094277   | 0.094277   |   0.0 |  0.68
Output  | 0.00015675 | 0.00015675 | 0.00015675 |   0.0 |  0.00
Modify  | 0.35379    | 0.35379    | 0.35379    |   0.0 |  2.56
Other   |            | 0.06117    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      136776.0 ave      136776 max      136776 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136776
Ave neighs/atom = 68.388000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.642911363698, Press = -1.73897524683824
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -10462.076   -10462.076   -10538.108   -10538.108    294.25183    294.25183    28367.251    28367.251   -1769.5954   -1769.5954 
   42000   -10457.106   -10457.106   -10538.312   -10538.312    314.27481    314.27481    28335.728    28335.728   -166.43285   -166.43285 
Loop time of 13.829 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.248 ns/day, 3.841 hours/ns, 72.312 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.32      | 13.32      | 13.32      |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095544   | 0.095544   | 0.095544   |   0.0 |  0.69
Output  | 0.0001548  | 0.0001548  | 0.0001548  |   0.0 |  0.00
Modify  | 0.35254    | 0.35254    | 0.35254    |   0.0 |  2.55
Other   |            | 0.06086    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137164.0 ave      137164 max      137164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137164
Ave neighs/atom = 68.582000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.587913418151, Press = -0.829244346170675
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -10457.106   -10457.106   -10538.312   -10538.312    314.27481    314.27481    28335.728    28335.728   -166.43285   -166.43285 
   43000    -10460.55    -10460.55   -10540.875   -10540.875     310.8657     310.8657    28311.805    28311.805    647.55253    647.55253 
Loop time of 13.8579 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.235 ns/day, 3.849 hours/ns, 72.161 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.35      | 13.35      | 13.35      |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095644   | 0.095644   | 0.095644   |   0.0 |  0.69
Output  | 0.00015481 | 0.00015481 | 0.00015481 |   0.0 |  0.00
Modify  | 0.35199    | 0.35199    | 0.35199    |   0.0 |  2.54
Other   |            | 0.06053    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137566.0 ave      137566 max      137566 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137566
Ave neighs/atom = 68.783000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.519734760021, Press = -0.0559089742110817
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000    -10460.55    -10460.55   -10540.875   -10540.875     310.8657     310.8657    28311.805    28311.805    647.55253    647.55253 
   44000   -10455.509   -10455.509   -10537.485   -10537.485    317.25622    317.25622    28330.957    28330.957    703.31793    703.31793 
Loop time of 13.8703 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.229 ns/day, 3.853 hours/ns, 72.096 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.362     | 13.362     | 13.362     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094222   | 0.094222   | 0.094222   |   0.0 |  0.68
Output  | 0.00020848 | 0.00020848 | 0.00020848 |   0.0 |  0.00
Modify  | 0.35239    | 0.35239    | 0.35239    |   0.0 |  2.54
Other   |            | 0.06144    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137452.0 ave      137452 max      137452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137452
Ave neighs/atom = 68.726000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.47381830776, Press = 0.563585870182358
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -10455.509   -10455.509   -10537.485   -10537.485    317.25622    317.25622    28330.957    28330.957    703.31793    703.31793 
   45000   -10460.835   -10460.835   -10538.894   -10538.894    302.09468    302.09468     28319.74     28319.74    696.84679    696.84679 
Loop time of 13.838 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.244 ns/day, 3.844 hours/ns, 72.265 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.329     | 13.329     | 13.329     |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095721   | 0.095721   | 0.095721   |   0.0 |  0.69
Output  | 0.0001559  | 0.0001559  | 0.0001559  |   0.0 |  0.00
Modify  | 0.35206    | 0.35206    | 0.35206    |   0.0 |  2.54
Other   |            | 0.06063    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137368.0 ave      137368 max      137368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137368
Ave neighs/atom = 68.684000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.412054421642, Press = 1.53563621364982
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -10460.835   -10460.835   -10538.894   -10538.894    302.09468    302.09468     28319.74     28319.74    696.84679    696.84679 
   46000    -10456.67    -10456.67   -10536.796   -10536.796    310.09662    310.09662    28388.422    28388.422   -2519.3365   -2519.3365 
Loop time of 13.8532 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.237 ns/day, 3.848 hours/ns, 72.186 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.345     | 13.345     | 13.345     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094635   | 0.094635   | 0.094635   |   0.0 |  0.68
Output  | 0.00015544 | 0.00015544 | 0.00015544 |   0.0 |  0.00
Modify  | 0.35282    | 0.35282    | 0.35282    |   0.0 |  2.55
Other   |            | 0.06094    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137522.0 ave      137522 max      137522 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137522
Ave neighs/atom = 68.761000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.361502403234, Press = 1.37008582357847
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000    -10456.67    -10456.67   -10536.796   -10536.796    310.09662    310.09662    28388.422    28388.422   -2519.3365   -2519.3365 
   47000   -10459.681   -10459.681   -10538.004   -10538.004    303.11809    303.11809    28347.837    28347.837   -551.00415   -551.00415 
Loop time of 13.8143 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.254 ns/day, 3.837 hours/ns, 72.389 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.308     | 13.308     | 13.308     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093839   | 0.093839   | 0.093839   |   0.0 |  0.68
Output  | 0.0001543  | 0.0001543  | 0.0001543  |   0.0 |  0.00
Modify  | 0.35177    | 0.35177    | 0.35177    |   0.0 |  2.55
Other   |            | 0.06068    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137076.0 ave      137076 max      137076 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137076
Ave neighs/atom = 68.538000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.298619018271, Press = 0.751790459525022
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -10459.681   -10459.681   -10538.004   -10538.004    303.11809    303.11809    28347.837    28347.837   -551.00415   -551.00415 
   48000   -10456.824   -10456.824   -10538.294   -10538.294    315.29636    315.29636     28361.74     28361.74   -1172.3352   -1172.3352 
Loop time of 13.8428 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.241 ns/day, 3.845 hours/ns, 72.239 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.335     | 13.335     | 13.335     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095097   | 0.095097   | 0.095097   |   0.0 |  0.69
Output  | 0.00015358 | 0.00015358 | 0.00015358 |   0.0 |  0.00
Modify  | 0.3523     | 0.3523     | 0.3523     |   0.0 |  2.54
Other   |            | 0.06067    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137494.0 ave      137494 max      137494 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137494
Ave neighs/atom = 68.747000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.279080672021, Press = -0.393150610016532
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -10456.824   -10456.824   -10538.294   -10538.294    315.29636    315.29636     28361.74     28361.74   -1172.3352   -1172.3352 
   49000   -10458.593   -10458.593   -10539.589   -10539.589    313.46354    313.46354    28327.973    28327.973    161.77343    161.77343 
Loop time of 13.8154 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.254 ns/day, 3.838 hours/ns, 72.383 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.308     | 13.308     | 13.308     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095333   | 0.095333   | 0.095333   |   0.0 |  0.69
Output  | 0.00020112 | 0.00020112 | 0.00020112 |   0.0 |  0.00
Modify  | 0.35185    | 0.35185    | 0.35185    |   0.0 |  2.55
Other   |            | 0.06023    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137042.0 ave      137042 max      137042 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137042
Ave neighs/atom = 68.521000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.287953054695, Press = -0.606614314648338
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -10458.593   -10458.593   -10539.589   -10539.589    313.46354    313.46354    28327.973    28327.973    161.77343    161.77343 
   50000   -10453.907   -10453.907   -10537.497   -10537.497    323.50127    323.50127    28304.773    28304.773     2150.252     2150.252 
Loop time of 13.8385 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.243 ns/day, 3.844 hours/ns, 72.262 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.33      | 13.33      | 13.33      |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09459    | 0.09459    | 0.09459    |   0.0 |  0.68
Output  | 0.00015558 | 0.00015558 | 0.00015558 |   0.0 |  0.00
Modify  | 0.35289    | 0.35289    | 0.35289    |   0.0 |  2.55
Other   |            | 0.06095    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137418.0 ave      137418 max      137418 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137418
Ave neighs/atom = 68.709000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.343451636759, Press = -0.925789011981408
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -10453.907   -10453.907   -10537.497   -10537.497    323.50127    323.50127    28304.773    28304.773     2150.252     2150.252 
   51000   -10458.268   -10458.268    -10539.92    -10539.92    316.00132    316.00132    28273.655    28273.655    3001.0406    3001.0406 
Loop time of 13.872 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.228 ns/day, 3.853 hours/ns, 72.088 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.365     | 13.365     | 13.365     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094298   | 0.094298   | 0.094298   |   0.0 |  0.68
Output  | 0.00015502 | 0.00015502 | 0.00015502 |   0.0 |  0.00
Modify  | 0.35158    | 0.35158    | 0.35158    |   0.0 |  2.53
Other   |            | 0.06128    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137678.0 ave      137678 max      137678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137678
Ave neighs/atom = 68.839000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.398000853483, Press = 0.195980551805938
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -10458.268   -10458.268    -10539.92    -10539.92    316.00132    316.00132    28273.655    28273.655    3001.0406    3001.0406 
   52000   -10453.522   -10453.522   -10537.993   -10537.993    326.91012    326.91012    28313.184    28313.184    1625.0396    1625.0396 
Loop time of 13.8508 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.238 ns/day, 3.847 hours/ns, 72.198 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.342     | 13.342     | 13.342     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094923   | 0.094923   | 0.094923   |   0.0 |  0.69
Output  | 0.00015548 | 0.00015548 | 0.00015548 |   0.0 |  0.00
Modify  | 0.35285    | 0.35285    | 0.35285    |   0.0 |  2.55
Other   |            | 0.06069    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      138054.0 ave      138054 max      138054 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138054
Ave neighs/atom = 69.027000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.418079856097, Press = 0.115449030509571
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -10453.522   -10453.522   -10537.993   -10537.993    326.91012    326.91012    28313.184    28313.184    1625.0396    1625.0396 
   53000   -10459.831   -10459.831   -10538.693   -10538.693    305.20293    305.20293    28318.431    28318.431    776.31161    776.31161 
Loop time of 13.8432 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.241 ns/day, 3.845 hours/ns, 72.238 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.333     | 13.333     | 13.333     |   0.0 | 96.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094573   | 0.094573   | 0.094573   |   0.0 |  0.68
Output  | 0.00015584 | 0.00015584 | 0.00015584 |   0.0 |  0.00
Modify  | 0.35471    | 0.35471    | 0.35471    |   0.0 |  2.56
Other   |            | 0.06109    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137774.0 ave      137774 max      137774 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137774
Ave neighs/atom = 68.887000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.454588240626, Press = 0.2767352964319
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -10459.831   -10459.831   -10538.693   -10538.693    305.20293    305.20293    28318.431    28318.431    776.31161    776.31161 
   54000   -10457.816   -10457.816   -10539.037   -10539.037    314.33033    314.33033    28336.702    28336.702   -400.27594   -400.27594 
Loop time of 13.8761 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.227 ns/day, 3.854 hours/ns, 72.066 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.368     | 13.368     | 13.368     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094585   | 0.094585   | 0.094585   |   0.0 |  0.68
Output  | 0.00015601 | 0.00015601 | 0.00015601 |   0.0 |  0.00
Modify  | 0.35238    | 0.35238    | 0.35238    |   0.0 |  2.54
Other   |            | 0.06083    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137892.0 ave      137892 max      137892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137892
Ave neighs/atom = 68.946000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.429189196642, Press = 0.476604814006711
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -10457.816   -10457.816   -10539.037   -10539.037    314.33033    314.33033    28336.702    28336.702   -400.27594   -400.27594 
   55000   -10458.697   -10458.697   -10538.852   -10538.852     310.2057     310.2057    28329.543    28329.543   -254.34101   -254.34101 
Loop time of 13.8524 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.237 ns/day, 3.848 hours/ns, 72.190 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    | 13.345     | 13.345     | 13.345     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094805   | 0.094805   | 0.094805   |   0.0 |  0.68
Output  | 0.00015511 | 0.00015511 | 0.00015511 |   0.0 |  0.00
Modify  | 0.35224    | 0.35224    | 0.35224    |   0.0 |  2.54
Other   |            | 0.06042    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137496.0 ave      137496 max      137496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137496
Ave neighs/atom = 68.748000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.384264605525, Press = 0.594433225996427
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -10458.697   -10458.697   -10538.852   -10538.852     310.2057     310.2057    28329.543    28329.543   -254.34101   -254.34101 
   56000   -10461.315   -10461.315   -10539.414   -10539.414    302.25164    302.25164    28336.671    28336.671   -535.85887   -535.85887 
Loop time of 13.865 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.232 ns/day, 3.851 hours/ns, 72.124 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.356     | 13.356     | 13.356     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095392   | 0.095392   | 0.095392   |   0.0 |  0.69
Output  | 0.00020737 | 0.00020737 | 0.00020737 |   0.0 |  0.00
Modify  | 0.35248    | 0.35248    | 0.35248    |   0.0 |  2.54
Other   |            | 0.06108    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137558.0 ave      137558 max      137558 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137558
Ave neighs/atom = 68.779000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.385542840233, Press = 0.500778166400726
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -10461.315   -10461.315   -10539.414   -10539.414    302.25164    302.25164    28336.671    28336.671   -535.85887   -535.85887 
   57000   -10456.769   -10456.769   -10538.005   -10538.005    314.39207    314.39207    28353.099    28353.099   -841.52064   -841.52064 
Loop time of 13.8329 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.246 ns/day, 3.842 hours/ns, 72.291 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.325     | 13.325     | 13.325     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095011   | 0.095011   | 0.095011   |   0.0 |  0.69
Output  | 0.00015543 | 0.00015543 | 0.00015543 |   0.0 |  0.00
Modify  | 0.3515     | 0.3515     | 0.3515     |   0.0 |  2.54
Other   |            | 0.06144    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137354.0 ave      137354 max      137354 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137354
Ave neighs/atom = 68.677000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.317126163115, Press = 0.95670398150275
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -10456.769   -10456.769   -10538.005   -10538.005    314.39207    314.39207    28353.099    28353.099   -841.52064   -841.52064 
   58000   -10462.139   -10462.139   -10541.018   -10541.018    305.27025    305.27025    28359.687    28359.687   -2310.5015   -2310.5015 
Loop time of 13.8327 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.246 ns/day, 3.842 hours/ns, 72.293 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.326     | 13.326     | 13.326     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094263   | 0.094263   | 0.094263   |   0.0 |  0.68
Output  | 0.00015544 | 0.00015544 | 0.00015544 |   0.0 |  0.00
Modify  | 0.35126    | 0.35126    | 0.35126    |   0.0 |  2.54
Other   |            | 0.06088    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137160.0 ave      137160 max      137160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137160
Ave neighs/atom = 68.580000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.285803980262, Press = 0.364070611560461
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -10462.139   -10462.139   -10541.018   -10541.018    305.27025    305.27025    28359.687    28359.687   -2310.5015   -2310.5015 
   59000   -10456.444   -10456.444   -10538.592   -10538.592    317.92384    317.92384     28401.46     28401.46   -3529.9535   -3529.9535 
Loop time of 13.8294 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.248 ns/day, 3.841 hours/ns, 72.310 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.322     | 13.322     | 13.322     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094755   | 0.094755   | 0.094755   |   0.0 |  0.69
Output  | 0.00015381 | 0.00015381 | 0.00015381 |   0.0 |  0.00
Modify  | 0.35233    | 0.35233    | 0.35233    |   0.0 |  2.55
Other   |            | 0.06056    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137082.0 ave      137082 max      137082 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137082
Ave neighs/atom = 68.541000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.262538625708, Press = -0.777272040160976
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -10456.444   -10456.444   -10538.592   -10538.592    317.92384    317.92384     28401.46     28401.46   -3529.9535   -3529.9535 
   60000   -10459.616   -10459.616   -10538.589   -10538.589    305.63565    305.63565    28379.667    28379.667   -2656.3883   -2656.3883 
Loop time of 13.8261 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.249 ns/day, 3.841 hours/ns, 72.327 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.318     | 13.318     | 13.318     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095313   | 0.095313   | 0.095313   |   0.0 |  0.69
Output  | 0.00015361 | 0.00015361 | 0.00015361 |   0.0 |  0.00
Modify  | 0.35152    | 0.35152    | 0.35152    |   0.0 |  2.54
Other   |            | 0.06089    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      136778.0 ave      136778 max      136778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136778
Ave neighs/atom = 68.389000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.244758610436, Press = -1.32382061293238
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -10459.616   -10459.616   -10538.589   -10538.589    305.63565    305.63565    28379.667    28379.667   -2656.3883   -2656.3883 
   61000   -10453.847   -10453.847   -10537.321   -10537.321     323.0528     323.0528    28340.386    28340.386   -263.50647   -263.50647 
Loop time of 13.8443 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.241 ns/day, 3.846 hours/ns, 72.232 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.335     | 13.335     | 13.335     |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095345   | 0.095345   | 0.095345   |   0.0 |  0.69
Output  | 0.00019337 | 0.00019337 | 0.00019337 |   0.0 |  0.00
Modify  | 0.35314    | 0.35314    | 0.35314    |   0.0 |  2.55
Other   |            | 0.06058    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137078.0 ave      137078 max      137078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137078
Ave neighs/atom = 68.539000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.26778947066, Press = -0.597128462164664
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -10453.847   -10453.847   -10537.321   -10537.321     323.0528     323.0528    28340.386    28340.386   -263.50647   -263.50647 
   62000   -10458.636   -10458.636   -10538.675   -10538.675    309.75743    309.75743    28303.527    28303.527    1424.0343    1424.0343 
Loop time of 17.936 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.817 ns/day, 4.982 hours/ns, 55.754 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.357     | 17.357     | 17.357     |   0.0 | 96.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10687    | 0.10687    | 0.10687    |   0.0 |  0.60
Output  | 0.00015616 | 0.00015616 | 0.00015616 |   0.0 |  0.00
Modify  | 0.40996    | 0.40996    | 0.40996    |   0.0 |  2.29
Other   |            | 0.06181    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137694.0 ave      137694 max      137694 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137694
Ave neighs/atom = 68.847000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.32189853198, Press = -0.655606791601628
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.545
  ghost atom cutoff = 6.545
  binsize = 3.2725, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.545
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -10458.636   -10458.636   -10538.675   -10538.675    309.75743    309.75743    28303.527    28303.527    1424.0343    1424.0343 
   63000   -10456.112   -10456.112   -10538.197   -10538.197    317.67643    317.67643    28302.223    28302.223    1705.7564    1705.7564 
Loop time of 18.3839 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.700 ns/day, 5.107 hours/ns, 54.395 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.778     | 17.778     | 17.778     |   0.0 | 96.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11042    | 0.11042    | 0.11042    |   0.0 |  0.60
Output  | 0.00015441 | 0.00015441 | 0.00015441 |   0.0 |  0.00
Modify  | 0.43226    | 0.43226    | 0.43226    |   0.0 |  2.35
Other   |            | 0.06347    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      137784.0 ave      137784 max      137784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137784
Ave neighs/atom = 68.892000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
28333.1945843758

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0