# 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 253.15*${_u_temperature}
variable temp_converted equal 253.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 253.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "253.15 - 0.2"
variable      T_up  equal  "253.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_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   -10554.589   -10554.589       -10620       -10620       253.15       253.15    27817.013    27817.013     2511.693     2511.693 
    1000   -10488.983   -10488.983   -10553.325   -10553.325    249.01058    249.01058    28268.486    28268.486   -557.44001   -557.44001 
Loop time of 15.8572 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.449 ns/day, 4.405 hours/ns, 63.063 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    | 15.275     | 15.275     | 15.275     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11244    | 0.11244    | 0.11244    |   0.0 |  0.71
Output  | 0.00023988 | 0.00023988 | 0.00023988 |   0.0 |  0.00
Modify  | 0.4051     | 0.4051     | 0.4051     |   0.0 |  2.55
Other   |            | 0.06433    |            |       |  0.41

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   -10488.983   -10488.983   -10553.325   -10553.325    249.01058    249.01058    28268.486    28268.486   -557.44001   -557.44001 
    2000   -10487.807   -10487.807   -10552.791   -10552.791    251.49463    251.49463    28271.401    28271.401   -623.10733   -623.10733 
Loop time of 13.8688 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.230 ns/day, 3.852 hours/ns, 72.104 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.377     | 13.377     | 13.377     |   0.0 | 96.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094908   | 0.094908   | 0.094908   |   0.0 |  0.68
Output  | 0.00024485 | 0.00024485 | 0.00024485 |   0.0 |  0.00
Modify  | 0.33585    | 0.33585    | 0.33585    |   0.0 |  2.42
Other   |            | 0.06113    |            |       |  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:      136868.0 ave      136868 max      136868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136868
Ave neighs/atom = 68.434000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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   -10487.807   -10487.807   -10552.791   -10552.791    251.49463    251.49463    28271.401    28271.401   -623.10733   -623.10733 
    3000   -10490.515   -10490.515   -10555.379   -10555.379    251.03041    251.03041     28257.42     28257.42   -329.14784   -329.14784 
Loop time of 13.7742 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.273 ns/day, 3.826 hours/ns, 72.600 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.284     | 13.284     | 13.284     |   0.0 | 96.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094116   | 0.094116   | 0.094116   |   0.0 |  0.68
Output  | 0.00024154 | 0.00024154 | 0.00024154 |   0.0 |  0.00
Modify  | 0.33494    | 0.33494    | 0.33494    |   0.0 |  2.43
Other   |            | 0.06091    |            |       |  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:      136960.0 ave      136960 max      136960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136960
Ave neighs/atom = 68.480000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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   -10490.515   -10490.515   -10555.379   -10555.379    251.03041    251.03041     28257.42     28257.42   -329.14784   -329.14784 
    4000   -10486.904   -10486.904   -10552.565   -10552.565    254.11514    254.11514    28281.127    28281.127   -985.23366   -985.23366 
Loop time of 13.752 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.283 ns/day, 3.820 hours/ns, 72.717 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.264     | 13.264     | 13.264     |   0.0 | 96.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094335   | 0.094335   | 0.094335   |   0.0 |  0.69
Output  | 0.00018995 | 0.00018995 | 0.00018995 |   0.0 |  0.00
Modify  | 0.33311    | 0.33311    | 0.33311    |   0.0 |  2.42
Other   |            | 0.06043    |            |       |  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:      136734.0 ave      136734 max      136734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136734
Ave neighs/atom = 68.367000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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   -10486.904   -10486.904   -10552.565   -10552.565    254.11514    254.11514    28281.127    28281.127   -985.23366   -985.23366 
    5000   -10489.593   -10489.593   -10554.872   -10554.872    252.63676    252.63676    28266.304    28266.304   -485.33752   -485.33752 
Loop time of 13.7766 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.272 ns/day, 3.827 hours/ns, 72.587 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.286     | 13.286     | 13.286     |   0.0 | 96.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094231   | 0.094231   | 0.094231   |   0.0 |  0.68
Output  | 0.0001534  | 0.0001534  | 0.0001534  |   0.0 |  0.00
Modify  | 0.33535    | 0.33535    | 0.33535    |   0.0 |  2.43
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:      136822.0 ave      136822 max      136822 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136822
Ave neighs/atom = 68.411000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 250.225532895391, Press = 623.238970240262
next a
jump SELF top
variable a loop 2000
run 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   -10489.593   -10489.593   -10554.872   -10554.872    252.63676    252.63676    28266.304    28266.304   -485.33752   -485.33752 
    6000    -10488.48    -10488.48   -10554.893   -10554.893    257.02694    257.02694    28243.319    28243.319    758.72547    758.72547 
Loop time of 13.8395 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.243 ns/day, 3.844 hours/ns, 72.257 timesteps/s
100.0% 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 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095135   | 0.095135   | 0.095135   |   0.0 |  0.69
Output  | 0.00015244 | 0.00015244 | 0.00015244 |   0.0 |  0.00
Modify  | 0.35212    | 0.35212    | 0.35212    |   0.0 |  2.54
Other   |            | 0.0607     |            |       |  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:      136862.0 ave      136862 max      136862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136862
Ave neighs/atom = 68.431000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.849350272163, Press = 37.7448466390991
next a
jump SELF top
variable a loop 2000
run 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    -10488.48    -10488.48   -10554.893   -10554.893    257.02694    257.02694    28243.319    28243.319    758.72547    758.72547 
    7000   -10489.845   -10489.845   -10554.912   -10554.912    251.81587    251.81587    28221.007    28221.007    1876.5832    1876.5832 
Loop time of 13.7951 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.263 ns/day, 3.832 hours/ns, 72.489 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.289     | 13.289     | 13.289     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094872   | 0.094872   | 0.094872   |   0.0 |  0.69
Output  | 0.00015437 | 0.00015437 | 0.00015437 |   0.0 |  0.00
Modify  | 0.35082    | 0.35082    | 0.35082    |   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:      136922.0 ave      136922 max      136922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136922
Ave neighs/atom = 68.461000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 254.220803685549, Press = 7.31889340981616
next a
jump SELF top
variable a loop 2000
run 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   -10489.845   -10489.845   -10554.912   -10554.912    251.81587    251.81587    28221.007    28221.007    1876.5832    1876.5832 
    8000   -10487.062   -10487.062   -10553.883   -10553.883    258.60356    258.60356    28272.994    28272.994   -546.19889   -546.19889 
Loop time of 13.803 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.260 ns/day, 3.834 hours/ns, 72.448 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.297     | 13.297     | 13.297     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094167   | 0.094167   | 0.094167   |   0.0 |  0.68
Output  | 0.00020113 | 0.00020113 | 0.00020113 |   0.0 |  0.00
Modify  | 0.3502     | 0.3502     | 0.3502     |   0.0 |  2.54
Other   |            | 0.06114    |            |       |  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:      137146.0 ave      137146 max      137146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137146
Ave neighs/atom = 68.573000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 254.038183454612, Press = -12.5315977874175
next a
jump SELF top
variable a loop 2000
run 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   -10487.062   -10487.062   -10553.883   -10553.883    258.60356    258.60356    28272.994    28272.994   -546.19889   -546.19889 
    9000   -10494.004   -10494.004   -10556.045   -10556.045    240.10383    240.10383    28301.413    28301.413   -3088.4898   -3088.4898 
Loop time of 13.7686 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.275 ns/day, 3.825 hours/ns, 72.629 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.262     | 13.262     | 13.262     |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094458   | 0.094458   | 0.094458   |   0.0 |  0.69
Output  | 0.00020026 | 0.00020026 | 0.00020026 |   0.0 |  0.00
Modify  | 0.35137    | 0.35137    | 0.35137    |   0.0 |  2.55
Other   |            | 0.06075    |            |       |  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:      136714.0 ave      136714 max      136714 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136714
Ave neighs/atom = 68.357000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.531986669247, Press = 2.71938386857192
next a
jump SELF top
variable a loop 2000
run 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   -10494.004   -10494.004   -10556.045   -10556.045    240.10383    240.10383    28301.413    28301.413   -3088.4898   -3088.4898 
   10000    -10486.69    -10486.69   -10551.927   -10551.927    252.47378    252.47378    28251.883    28251.883    721.74524    721.74524 
Loop time of 13.7819 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.269 ns/day, 3.828 hours/ns, 72.559 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.276     | 13.276     | 13.276     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094221   | 0.094221   | 0.094221   |   0.0 |  0.68
Output  | 0.00015292 | 0.00015292 | 0.00015292 |   0.0 |  0.00
Modify  | 0.35114    | 0.35114    | 0.35114    |   0.0 |  2.55
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:      136280.0 ave      136280 max      136280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136280
Ave neighs/atom = 68.140000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.137533782744, Press = 13.6665697357662
next a
jump SELF top
variable a loop 2000
run 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    -10486.69    -10486.69   -10551.927   -10551.927    252.47378    252.47378    28251.883    28251.883    721.74524    721.74524 
   11000   -10488.951   -10488.951   -10554.223   -10554.223    252.61172    252.61172     28237.08     28237.08    1245.0479    1245.0479 
Loop time of 13.8162 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.254 ns/day, 3.838 hours/ns, 72.379 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.311     | 13.311     | 13.311     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094777   | 0.094777   | 0.094777   |   0.0 |  0.69
Output  | 0.0001563  | 0.0001563  | 0.0001563  |   0.0 |  0.00
Modify  | 0.3502     | 0.3502     | 0.3502     |   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:      137170.0 ave      137170 max      137170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137170
Ave neighs/atom = 68.585000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.326324025362, Press = 5.30290484645139
next a
jump SELF top
variable a loop 2000
run 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   -10488.951   -10488.951   -10554.223   -10554.223    252.61172    252.61172     28237.08     28237.08    1245.0479    1245.0479 
   12000    -10488.15    -10488.15   -10552.012   -10552.012    247.15211    247.15211    28252.199    28252.199    779.24701    779.24701 
Loop time of 13.7891 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.266 ns/day, 3.830 hours/ns, 72.521 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.283     | 13.283     | 13.283     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095214   | 0.095214   | 0.095214   |   0.0 |  0.69
Output  | 0.00015617 | 0.00015617 | 0.00015617 |   0.0 |  0.00
Modify  | 0.34991    | 0.34991    | 0.34991    |   0.0 |  2.54
Other   |            | 0.06054    |            |       |  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:      136956.0 ave      136956 max      136956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136956
Ave neighs/atom = 68.478000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.518034311604, Press = 4.55523040212778
next a
jump SELF top
variable a loop 2000
run 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    -10488.15    -10488.15   -10552.012   -10552.012    247.15211    247.15211    28252.199    28252.199    779.24701    779.24701 
   13000   -10488.313   -10488.313   -10552.898   -10552.898     249.9498     249.9498    28244.686    28244.686    867.59512    867.59512 
Loop time of 13.8004 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.261 ns/day, 3.833 hours/ns, 72.462 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.293     | 13.293     | 13.293     |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095055   | 0.095055   | 0.095055   |   0.0 |  0.69
Output  | 0.00015687 | 0.00015687 | 0.00015687 |   0.0 |  0.00
Modify  | 0.35157    | 0.35157    | 0.35157    |   0.0 |  2.55
Other   |            | 0.0605     |            |       |  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:      137262.0 ave      137262 max      137262 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137262
Ave neighs/atom = 68.631000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.461522229979, Press = 4.1322210794536
next a
jump SELF top
variable a loop 2000
run 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   -10488.313   -10488.313   -10552.898   -10552.898     249.9498     249.9498    28244.686    28244.686    867.59512    867.59512 
   14000   -10487.656   -10487.656    -10553.29    -10553.29    254.00911    254.00911    28249.164    28249.164    724.63981    724.63981 
Loop time of 13.7986 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.261 ns/day, 3.833 hours/ns, 72.471 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.292     | 13.292     | 13.292     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094675   | 0.094675   | 0.094675   |   0.0 |  0.69
Output  | 0.00015627 | 0.00015627 | 0.00015627 |   0.0 |  0.00
Modify  | 0.35148    | 0.35148    | 0.35148    |   0.0 |  2.55
Other   |            | 0.06047    |            |       |  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:      137072.0 ave      137072 max      137072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137072
Ave neighs/atom = 68.536000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.596827096328, Press = -3.16875811081574
next a
jump SELF top
variable a loop 2000
run 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   -10487.656   -10487.656    -10553.29    -10553.29    254.00911    254.00911    28249.164    28249.164    724.63981    724.63981 
   15000   -10486.947   -10486.947   -10553.697   -10553.697    258.33121    258.33121    28319.192    28319.192   -3177.3843   -3177.3843 
Loop time of 13.7931 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.264 ns/day, 3.831 hours/ns, 72.500 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.288     | 13.288     | 13.288     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094374   | 0.094374   | 0.094374   |   0.0 |  0.68
Output  | 0.00015382 | 0.00015382 | 0.00015382 |   0.0 |  0.00
Modify  | 0.34939    | 0.34939    | 0.34939    |   0.0 |  2.53
Other   |            | 0.06087    |            |       |  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:      136908.0 ave      136908 max      136908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136908
Ave neighs/atom = 68.454000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.60851304931, Press = -0.981279487713813
next a
jump SELF top
variable a loop 2000
run 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   -10486.947   -10486.947   -10553.697   -10553.697    258.33121    258.33121    28319.192    28319.192   -3177.3843   -3177.3843 
   16000   -10490.869   -10490.869   -10554.513   -10554.513     246.3122     246.3122    28250.992    28250.992    92.579471    92.579471 
Loop time of 13.7511 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.283 ns/day, 3.820 hours/ns, 72.722 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.245     | 13.245     | 13.245     |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093353   | 0.093353   | 0.093353   |   0.0 |  0.68
Output  | 0.00020397 | 0.00020397 | 0.00020397 |   0.0 |  0.00
Modify  | 0.35195    | 0.35195    | 0.35195    |   0.0 |  2.56
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:      136182.0 ave      136182 max      136182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136182
Ave neighs/atom = 68.091000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.709602634554, Press = 5.53194602890487
next a
jump SELF top
variable a loop 2000
run 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   -10490.869   -10490.869   -10554.513   -10554.513     246.3122     246.3122    28250.992    28250.992    92.579471    92.579471 
   17000     -10486.6     -10486.6   -10552.221   -10552.221    253.95964    253.95964    28247.311    28247.311     1108.514     1108.514 
Loop time of 13.7857 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.267 ns/day, 3.829 hours/ns, 72.539 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.28      | 13.28      | 13.28      |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094587   | 0.094587   | 0.094587   |   0.0 |  0.69
Output  | 0.00020345 | 0.00020345 | 0.00020345 |   0.0 |  0.00
Modify  | 0.35022    | 0.35022    | 0.35022    |   0.0 |  2.54
Other   |            | 0.06047    |            |       |  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 = 253.613443928074, Press = 2.4081607678073
next a
jump SELF top
variable a loop 2000
run 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     -10486.6     -10486.6   -10552.221   -10552.221    253.95964    253.95964    28247.311    28247.311     1108.514     1108.514 
   18000   -10490.661   -10490.661    -10556.32    -10556.32    254.10874    254.10874    28245.706    28245.706   -145.85222   -145.85222 
Loop time of 13.7915 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.265 ns/day, 3.831 hours/ns, 72.508 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.285     | 13.285     | 13.285     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094791   | 0.094791   | 0.094791   |   0.0 |  0.69
Output  | 0.00015598 | 0.00015598 | 0.00015598 |   0.0 |  0.00
Modify  | 0.35059    | 0.35059    | 0.35059    |   0.0 |  2.54
Other   |            | 0.06099    |            |       |  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:      137134.0 ave      137134 max      137134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137134
Ave neighs/atom = 68.567000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.477043100082, Press = 0.12269162953316
next a
jump SELF top
variable a loop 2000
run 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   -10490.661   -10490.661    -10556.32    -10556.32    254.10874    254.10874    28245.706    28245.706   -145.85222   -145.85222 
   19000   -10487.633   -10487.633   -10551.991   -10551.991    249.07152    249.07152    28280.251    28280.251   -780.50984   -780.50984 
Loop time of 13.7803 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.270 ns/day, 3.828 hours/ns, 72.567 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.274     | 13.274     | 13.274     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094455   | 0.094455   | 0.094455   |   0.0 |  0.69
Output  | 0.0001542  | 0.0001542  | 0.0001542  |   0.0 |  0.00
Modify  | 0.35086    | 0.35086    | 0.35086    |   0.0 |  2.55
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:      136860.0 ave      136860 max      136860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136860
Ave neighs/atom = 68.430000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.306865653257, Press = 0.251743565731816
next a
jump SELF top
variable a loop 2000
run 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   -10487.633   -10487.633   -10551.991   -10551.991    249.07152    249.07152    28280.251    28280.251   -780.50984   -780.50984 
   20000   -10489.576   -10489.576   -10554.174   -10554.174    250.00213    250.00213    28252.966    28252.966    145.76094    145.76094 
Loop time of 13.7756 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.272 ns/day, 3.827 hours/ns, 72.592 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.27      | 13.27      | 13.27      |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094872   | 0.094872   | 0.094872   |   0.0 |  0.69
Output  | 0.00015469 | 0.00015469 | 0.00015469 |   0.0 |  0.00
Modify  | 0.34998    | 0.34998    | 0.34998    |   0.0 |  2.54
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:      136872.0 ave      136872 max      136872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136872
Ave neighs/atom = 68.436000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.309537928906, Press = 1.03731834704045
next a
jump SELF top
variable a loop 2000
run 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   -10489.576   -10489.576   -10554.174   -10554.174    250.00213    250.00213    28252.966    28252.966    145.76094    145.76094 
   21000   -10488.444   -10488.444   -10553.204   -10553.204      250.627      250.627      28273.9      28273.9    -710.7465    -710.7465 
Loop time of 13.7814 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.269 ns/day, 3.828 hours/ns, 72.562 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.276     | 13.276     | 13.276     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094394   | 0.094394   | 0.094394   |   0.0 |  0.68
Output  | 0.00015626 | 0.00015626 | 0.00015626 |   0.0 |  0.00
Modify  | 0.35021    | 0.35021    | 0.35021    |   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:      136928.0 ave      136928 max      136928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136928
Ave neighs/atom = 68.464000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.107788518603, Press = 0.373108609011921
next a
jump SELF top
variable a loop 2000
run 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   -10488.444   -10488.444   -10553.204   -10553.204      250.627      250.627      28273.9      28273.9    -710.7465    -710.7465 
   22000   -10491.667   -10491.667   -10555.694   -10555.694    247.79341    247.79341     28274.49     28274.49   -1356.1116   -1356.1116 
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    | 13.281     | 13.281     | 13.281     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094743   | 0.094743   | 0.094743   |   0.0 |  0.69
Output  | 0.00020295 | 0.00020295 | 0.00020295 |   0.0 |  0.00
Modify  | 0.3504     | 0.3504     | 0.3504     |   0.0 |  2.54
Other   |            | 0.06112    |            |       |  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:      136896.0 ave      136896 max      136896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136896
Ave neighs/atom = 68.448000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.059579182318, Press = 3.20763809188338
next a
jump SELF top
variable a loop 2000
run 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   -10491.667   -10491.667   -10555.694   -10555.694    247.79341    247.79341     28274.49     28274.49   -1356.1116   -1356.1116 
   23000   -10484.361   -10484.361   -10552.906   -10552.906     265.2764     265.2764      28247.7      28247.7    702.54377    702.54377 
Loop time of 13.794 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.264 ns/day, 3.832 hours/ns, 72.495 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.289     | 13.289     | 13.289     |   0.0 | 96.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094583   | 0.094583   | 0.094583   |   0.0 |  0.69
Output  | 0.0001569  | 0.0001569  | 0.0001569  |   0.0 |  0.00
Modify  | 0.34938    | 0.34938    | 0.34938    |   0.0 |  2.53
Other   |            | 0.06091    |            |       |  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:      136682.0 ave      136682 max      136682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136682
Ave neighs/atom = 68.341000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.143017022081, Press = 3.95783412607826
next a
jump SELF top
variable a loop 2000
run 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   -10484.361   -10484.361   -10552.906   -10552.906     265.2764     265.2764      28247.7      28247.7    702.54377    702.54377 
   24000   -10489.056   -10489.056   -10554.971   -10554.971    255.10071    255.10071     28224.38     28224.38    1451.5052    1451.5052 
Loop time of 13.8117 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.256 ns/day, 3.837 hours/ns, 72.402 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.304     | 13.304     | 13.304     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094862   | 0.094862   | 0.094862   |   0.0 |  0.69
Output  | 0.00015514 | 0.00015514 | 0.00015514 |   0.0 |  0.00
Modify  | 0.3515     | 0.3515     | 0.3515     |   0.0 |  2.54
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:      137184.0 ave      137184 max      137184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137184
Ave neighs/atom = 68.592000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.203461040549, Press = 1.22148665066676
next a
jump SELF top
variable a loop 2000
run 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   -10489.056   -10489.056   -10554.971   -10554.971    255.10071    255.10071     28224.38     28224.38    1451.5052    1451.5052 
   25000   -10486.926   -10486.926    -10552.98    -10552.98    255.63839    255.63839    28270.421    28270.421    -325.3718    -325.3718 
Loop time of 13.7816 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.269 ns/day, 3.828 hours/ns, 72.560 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.276     | 13.276     | 13.276     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094192   | 0.094192   | 0.094192   |   0.0 |  0.68
Output  | 0.00015718 | 0.00015718 | 0.00015718 |   0.0 |  0.00
Modify  | 0.35093    | 0.35093    | 0.35093    |   0.0 |  2.55
Other   |            | 0.06081    |            |       |  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:      137174.0 ave      137174 max      137174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137174
Ave neighs/atom = 68.587000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.286563220782, Press = -3.0045402131433
next a
jump SELF top
variable a loop 2000
run 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   -10486.926   -10486.926    -10552.98    -10552.98    255.63839    255.63839    28270.421    28270.421    -325.3718    -325.3718 
   26000   -10488.364   -10488.364   -10553.696   -10553.696    252.84017    252.84017    28297.341    28297.341   -2145.8842   -2145.8842 
Loop time of 13.7587 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.280 ns/day, 3.822 hours/ns, 72.681 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.253     | 13.253     | 13.253     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094392   | 0.094392   | 0.094392   |   0.0 |  0.69
Output  | 0.00015442 | 0.00015442 | 0.00015442 |   0.0 |  0.00
Modify  | 0.35038    | 0.35038    | 0.35038    |   0.0 |  2.55
Other   |            | 0.06043    |            |       |  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:      136794.0 ave      136794 max      136794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136794
Ave neighs/atom = 68.397000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.288884119568, Press = 0.540316939343436
next a
jump SELF top
variable a loop 2000
run 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   -10488.364   -10488.364   -10553.696   -10553.696    252.84017    252.84017    28297.341    28297.341   -2145.8842   -2145.8842 
   27000   -10489.035   -10489.035     -10553.9     -10553.9    251.03377    251.03377    28247.202    28247.202    309.49539    309.49539 
Loop time of 13.7705 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.274 ns/day, 3.825 hours/ns, 72.619 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.264     | 13.264     | 13.264     |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094239   | 0.094239   | 0.094239   |   0.0 |  0.68
Output  | 0.00015575 | 0.00015575 | 0.00015575 |   0.0 |  0.00
Modify  | 0.35108    | 0.35108    | 0.35108    |   0.0 |  2.55
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:      136298.0 ave      136298 max      136298 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136298
Ave neighs/atom = 68.149000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.27232457529, Press = 2.205687920092
next a
jump SELF top
variable a loop 2000
run 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   -10489.035   -10489.035     -10553.9     -10553.9    251.03377    251.03377    28247.202    28247.202    309.49539    309.49539 
   28000   -10491.027   -10491.027   -10553.892   -10553.892    243.29122    243.29122    28235.033    28235.033    1022.7231    1022.7231 
Loop time of 13.7713 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.274 ns/day, 3.825 hours/ns, 72.615 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.266     | 13.266     | 13.266     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094008   | 0.094008   | 0.094008   |   0.0 |  0.68
Output  | 0.00015845 | 0.00015845 | 0.00015845 |   0.0 |  0.00
Modify  | 0.34979    | 0.34979    | 0.34979    |   0.0 |  2.54
Other   |            | 0.0613     |            |       |  0.45

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:      137010.0 ave      137010 max      137010 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137010
Ave neighs/atom = 68.505000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.24835927558, Press = 0.497445950750717
next a
jump SELF top
variable a loop 2000
run 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   -10491.027   -10491.027   -10553.892   -10553.892    243.29122    243.29122    28235.033    28235.033    1022.7231    1022.7231 
   29000   -10488.923   -10488.923   -10556.438   -10556.438    261.29041    261.29041    28269.446    28269.446   -1320.0004   -1320.0004 
Loop time of 13.7867 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.267 ns/day, 3.830 hours/ns, 72.534 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.28      | 13.28      | 13.28      |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094533   | 0.094533   | 0.094533   |   0.0 |  0.69
Output  | 0.00015626 | 0.00015626 | 0.00015626 |   0.0 |  0.00
Modify  | 0.35088    | 0.35088    | 0.35088    |   0.0 |  2.55
Other   |            | 0.06107    |            |       |  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:      137468.0 ave      137468 max      137468 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137468
Ave neighs/atom = 68.734000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.134768063537, Press = -0.642610937572069
next a
jump SELF top
variable a loop 2000
run 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   -10488.923   -10488.923   -10556.438   -10556.438    261.29041    261.29041    28269.446    28269.446   -1320.0004   -1320.0004 
   30000   -10489.957   -10489.957   -10555.347   -10555.347     253.0684     253.0684     28305.38     28305.38   -2989.2965   -2989.2965 
Loop time of 13.7813 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.269 ns/day, 3.828 hours/ns, 72.562 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.275     | 13.275     | 13.275     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094845   | 0.094845   | 0.094845   |   0.0 |  0.69
Output  | 0.00015778 | 0.00015778 | 0.00015778 |   0.0 |  0.00
Modify  | 0.35048    | 0.35048    | 0.35048    |   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:      136604.0 ave      136604 max      136604 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136604
Ave neighs/atom = 68.302000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.122674920741, Press = 1.15602508638883
next a
jump SELF top
variable a loop 2000
run 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   -10489.957   -10489.957   -10555.347   -10555.347     253.0684     253.0684     28305.38     28305.38   -2989.2965   -2989.2965 
   31000   -10488.771   -10488.771   -10554.258   -10554.258     253.4414     253.4414    28255.246    28255.246    198.73083    198.73083 
Loop time of 13.7565 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.281 ns/day, 3.821 hours/ns, 72.693 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.251     | 13.251     | 13.251     |   0.0 | 96.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094158   | 0.094158   | 0.094158   |   0.0 |  0.68
Output  | 0.0002046  | 0.0002046  | 0.0002046  |   0.0 |  0.00
Modify  | 0.35057    | 0.35057    | 0.35057    |   0.0 |  2.55
Other   |            | 0.06091    |            |       |  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:      136244.0 ave      136244 max      136244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136244
Ave neighs/atom = 68.122000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.100759659141, Press = 3.5838176504357
next a
jump SELF top
variable a loop 2000
run 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   -10488.771   -10488.771   -10554.258   -10554.258     253.4414     253.4414    28255.246    28255.246    198.73083    198.73083 
   32000     -10487.7     -10487.7    -10554.99    -10554.99    260.42018    260.42018    28227.112    28227.112    1663.4635    1663.4635 
Loop time of 13.7771 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.271 ns/day, 3.827 hours/ns, 72.584 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.271     | 13.271     | 13.271     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094156   | 0.094156   | 0.094156   |   0.0 |  0.68
Output  | 0.00015541 | 0.00015541 | 0.00015541 |   0.0 |  0.00
Modify  | 0.35063    | 0.35063    | 0.35063    |   0.0 |  2.55
Other   |            | 0.06103    |            |       |  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:      136818.0 ave      136818 max      136818 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136818
Ave neighs/atom = 68.409000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.108135656693, Press = 0.721202722637039
next a
jump SELF top
variable a loop 2000
run 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     -10487.7     -10487.7    -10554.99    -10554.99    260.42018    260.42018    28227.112    28227.112    1663.4635    1663.4635 
   33000    -10490.89    -10490.89   -10554.985   -10554.985    248.05149    248.05149    28254.384    28254.384   -25.462354   -25.462354 
Loop time of 13.7802 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.270 ns/day, 3.828 hours/ns, 72.568 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.275     | 13.275     | 13.275     |   0.0 | 96.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093646   | 0.093646   | 0.093646   |   0.0 |  0.68
Output  | 0.00015601 | 0.00015601 | 0.00015601 |   0.0 |  0.00
Modify  | 0.35079    | 0.35079    | 0.35079    |   0.0 |  2.55
Other   |            | 0.06055    |            |       |  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"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
28257.5317221592

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0