# 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 2.870000079274177*${_u_distance}
variable latticeconst_converted equal 2.870000079274177*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.87000007927418
Lattice spacing in x,y,z = 2.8700001 2.8700001 2.8700001
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 (28.700001 28.700001 28.700001)
  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 (28.700001 28.700001 28.700001)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 55.845*${_u_mass}
variable mass_converted equal 55.845*1

kim_interactions Fe

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

kim interactions Fe
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
pair_coeff * * Fe
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 55.845

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23639.9049589205    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23639.9049589205/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23639.9049589205/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23639.9049589205/(1*1*${_u_distance})
variable      V0_metal equal 23639.9049589205/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23639.9049589205*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23639.9049589205 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_024705128470_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 = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8479.0847   -8479.0847   -8559.9999   -8559.9999       313.15       313.15    23639.905    23639.905    3655.9565    3655.9565 
    1000   -8395.4601   -8395.4601   -8481.3773   -8481.3773    332.50833    332.50833    23922.795    23922.795   -95.530957   -95.530957 
Loop time of 6.1309 on 1 procs for 1000 steps with 2000 atoms

Performance: 14.093 ns/day, 1.703 hours/ns, 163.108 timesteps/s
89.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.9278     | 5.9278     | 5.9278     |   0.0 | 96.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034162   | 0.034162   | 0.034162   |   0.0 |  0.56
Output  | 0.0001456  | 0.0001456  | 0.0001456  |   0.0 |  0.00
Modify  | 0.14752    | 0.14752    | 0.14752    |   0.0 |  2.41
Other   |            | 0.02131    |            |       |  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:      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 = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.4601   -8395.4601   -8481.3773   -8481.3773    332.50833    332.50833    23922.795    23922.795   -95.530957   -95.530957 
    2000   -8395.2842   -8395.2842   -8477.4656   -8477.4656    318.05084    318.05084    23967.127    23967.127   -2701.2336   -2701.2336 
Loop time of 5.89608 on 1 procs for 1000 steps with 2000 atoms

Performance: 14.654 ns/day, 1.638 hours/ns, 169.604 timesteps/s
96.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.6933     | 5.6933     | 5.6933     |   0.0 | 96.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034244   | 0.034244   | 0.034244   |   0.0 |  0.58
Output  | 0.00016458 | 0.00016458 | 0.00016458 |   0.0 |  0.00
Modify  | 0.14663    | 0.14663    | 0.14663    |   0.0 |  2.49
Other   |            | 0.02173    |            |       |  0.37

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:      132548.0 ave      132548 max      132548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132548
Ave neighs/atom = 66.274000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.2842   -8395.2842   -8477.4656   -8477.4656    318.05084    318.05084    23967.127    23967.127   -2701.2336   -2701.2336 
    3000   -8397.2113   -8397.2113   -8477.0918   -8477.0918    309.14559    309.14559    23935.436    23935.436   -538.39619   -538.39619 
Loop time of 5.58033 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.483 ns/day, 1.550 hours/ns, 179.201 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3857     | 5.3857     | 5.3857     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032905   | 0.032905   | 0.032905   |   0.0 |  0.59
Output  | 0.00010644 | 0.00010644 | 0.00010644 |   0.0 |  0.00
Modify  | 0.14211    | 0.14211    | 0.14211    |   0.0 |  2.55
Other   |            | 0.01949    |            |       |  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:      132256.0 ave      132256 max      132256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132256
Ave neighs/atom = 66.128000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8397.2113   -8397.2113   -8477.0918   -8477.0918    309.14559    309.14559    23935.436    23935.436   -538.39619   -538.39619 
    4000   -8393.8378   -8393.8378   -8476.7954   -8476.7954    321.05427    321.05427    23926.137    23926.137    421.91597    421.91597 
Loop time of 5.49311 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.729 ns/day, 1.526 hours/ns, 182.046 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.305      | 5.305      | 5.305      |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032306   | 0.032306   | 0.032306   |   0.0 |  0.59
Output  | 0.00011076 | 0.00011076 | 0.00011076 |   0.0 |  0.00
Modify  | 0.13718    | 0.13718    | 0.13718    |   0.0 |  2.50
Other   |            | 0.01849    |            |       |  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:      132326.0 ave      132326 max      132326 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132326
Ave neighs/atom = 66.163000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8393.8378   -8393.8378   -8476.7954   -8476.7954    321.05427    321.05427    23926.137    23926.137    421.91597    421.91597 
    5000   -8397.8224   -8397.8224   -8479.3983   -8479.3983     315.7072     315.7072    23916.332    23916.332    412.35834    412.35834 
Loop time of 5.60041 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.427 ns/day, 1.556 hours/ns, 178.558 timesteps/s
99.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.4099     | 5.4099     | 5.4099     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032691   | 0.032691   | 0.032691   |   0.0 |  0.58
Output  | 7.7049e-05 | 7.7049e-05 | 7.7049e-05 |   0.0 |  0.00
Modify  | 0.13902    | 0.13902    | 0.13902    |   0.0 |  2.48
Other   |            | 0.01873    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132332.0 ave      132332 max      132332 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132332
Ave neighs/atom = 66.166000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.582371543243, Press = -988.753856545835
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8397.8224   -8397.8224   -8479.3983   -8479.3983     315.7072     315.7072    23916.332    23916.332    412.35834    412.35834 
    6000   -8395.3113   -8395.3113   -8477.0744   -8477.0744    316.43171    316.43171    23954.344    23954.344    -1714.159    -1714.159 
Loop time of 5.58077 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.482 ns/day, 1.550 hours/ns, 179.187 timesteps/s
98.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.39       | 5.39       | 5.39       |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032039   | 0.032039   | 0.032039   |   0.0 |  0.57
Output  | 8.7172e-05 | 8.7172e-05 | 8.7172e-05 |   0.0 |  0.00
Modify  | 0.14036    | 0.14036    | 0.14036    |   0.0 |  2.51
Other   |            | 0.01825    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132524.0 ave      132524 max      132524 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132524
Ave neighs/atom = 66.262000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.885035648544, Press = -102.191130791497
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.3113   -8395.3113   -8477.0744   -8477.0744    316.43171    316.43171    23954.344    23954.344    -1714.159    -1714.159 
    7000   -8398.5469   -8398.5469   -8478.0957   -8478.0957    307.86203    307.86203    23969.067    23969.067   -2992.9216   -2992.9216 
Loop time of 5.52891 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.627 ns/day, 1.536 hours/ns, 180.868 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    | 5.3368     | 5.3368     | 5.3368     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032207   | 0.032207   | 0.032207   |   0.0 |  0.58
Output  | 8.5911e-05 | 8.5911e-05 | 8.5911e-05 |   0.0 |  0.00
Modify  | 0.14127    | 0.14127    | 0.14127    |   0.0 |  2.56
Other   |            | 0.01851    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132358.0 ave      132358 max      132358 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132358
Ave neighs/atom = 66.179000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.516390884462, Press = -11.5916475677381
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8398.5469   -8398.5469   -8478.0957   -8478.0957    307.86203    307.86203    23969.067    23969.067   -2992.9216   -2992.9216 
    8000   -8393.5997   -8393.5997   -8477.5999   -8477.5999    325.08947    325.08947    23944.281    23944.281   -1042.3585   -1042.3585 
Loop time of 5.48081 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.764 ns/day, 1.522 hours/ns, 182.455 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2911     | 5.2911     | 5.2911     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031971   | 0.031971   | 0.031971   |   0.0 |  0.58
Output  | 5.9005e-05 | 5.9005e-05 | 5.9005e-05 |   0.0 |  0.00
Modify  | 0.13959    | 0.13959    | 0.13959    |   0.0 |  2.55
Other   |            | 0.01813    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132182.0 ave      132182 max      132182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132182
Ave neighs/atom = 66.091000
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 = 312.182454512893, Press = 12.4974707192369
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8393.5997   -8393.5997   -8477.5999   -8477.5999    325.08947    325.08947    23944.281    23944.281   -1042.3585   -1042.3585 
    9000   -8397.6386   -8397.6386   -8477.7438   -8477.7438    310.01553    310.01553    23912.132    23912.132    926.10757    926.10757 
Loop time of 5.55556 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.552 ns/day, 1.543 hours/ns, 180.000 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    | 5.361      | 5.361      | 5.361      |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032637   | 0.032637   | 0.032637   |   0.0 |  0.59
Output  | 8.5801e-05 | 8.5801e-05 | 8.5801e-05 |   0.0 |  0.00
Modify  | 0.143      | 0.143      | 0.143      |   0.0 |  2.57
Other   |            | 0.0188     |            |       |  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:      132142.0 ave      132142 max      132142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132142
Ave neighs/atom = 66.071000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.784878273124, Press = -5.98981891400518
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8397.6386   -8397.6386   -8477.7438   -8477.7438    310.01553    310.01553    23912.132    23912.132    926.10757    926.10757 
   10000   -8392.7273   -8392.7273   -8474.8313   -8474.8313    317.75095    317.75095    23921.752    23921.752     974.4757     974.4757 
Loop time of 5.48648 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.748 ns/day, 1.524 hours/ns, 182.266 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2967     | 5.2967     | 5.2967     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032041   | 0.032041   | 0.032041   |   0.0 |  0.58
Output  | 4.8229e-05 | 4.8229e-05 | 4.8229e-05 |   0.0 |  0.00
Modify  | 0.13956    | 0.13956    | 0.13956    |   0.0 |  2.54
Other   |            | 0.01814    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132666.0 ave      132666 max      132666 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132666
Ave neighs/atom = 66.333000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.024928045827, Press = -12.0829953963147
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8392.7273   -8392.7273   -8474.8313   -8474.8313    317.75095    317.75095    23921.752    23921.752     974.4757     974.4757 
   11000   -8396.3154   -8396.3154   -8476.7329   -8476.7329     311.2241     311.2241    23930.822    23930.822   -169.35871   -169.35871 
Loop time of 5.56661 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.521 ns/day, 1.546 hours/ns, 179.642 timesteps/s
99.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3748     | 5.3748     | 5.3748     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032259   | 0.032259   | 0.032259   |   0.0 |  0.58
Output  | 8.4064e-05 | 8.4064e-05 | 8.4064e-05 |   0.0 |  0.00
Modify  | 0.14098    | 0.14098    | 0.14098    |   0.0 |  2.53
Other   |            | 0.01853    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132588.0 ave      132588 max      132588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132588
Ave neighs/atom = 66.294000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.103976405118, Press = -13.9197761512948
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.3154   -8396.3154   -8476.7329   -8476.7329     311.2241     311.2241    23930.822    23930.822   -169.35871   -169.35871 
   12000   -8394.5441   -8394.5441   -8476.7827   -8476.7827    318.27204    318.27204    23957.768    23957.768    -1780.891    -1780.891 
Loop time of 5.52867 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.628 ns/day, 1.536 hours/ns, 180.875 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3362     | 5.3362     | 5.3362     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032385   | 0.032385   | 0.032385   |   0.0 |  0.59
Output  | 5.9925e-05 | 5.9925e-05 | 5.9925e-05 |   0.0 |  0.00
Modify  | 0.1415     | 0.1415     | 0.1415     |   0.0 |  2.56
Other   |            | 0.01849    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132498.0 ave      132498 max      132498 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132498
Ave neighs/atom = 66.249000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.92223278839, Press = -6.02609006335496
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8394.5441   -8394.5441   -8476.7827   -8476.7827    318.27204    318.27204    23957.768    23957.768    -1780.891    -1780.891 
   13000   -8398.8926   -8398.8926   -8480.1791   -8480.1791    314.58712    314.58712    23930.366    23930.366   -818.32035   -818.32035 
Loop time of 5.50162 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.704 ns/day, 1.528 hours/ns, 181.765 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3112     | 5.3112     | 5.3112     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032144   | 0.032144   | 0.032144   |   0.0 |  0.58
Output  | 4.6901e-05 | 4.6901e-05 | 4.6901e-05 |   0.0 |  0.00
Modify  | 0.14001    | 0.14001    | 0.14001    |   0.0 |  2.54
Other   |            | 0.01818    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132288.0 ave      132288 max      132288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132288
Ave neighs/atom = 66.144000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.672710751662, Press = 1.13034803134779
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8398.8926   -8398.8926   -8480.1791   -8480.1791    314.58712    314.58712    23930.366    23930.366   -818.32035   -818.32035 
   14000   -8398.0619   -8398.0619   -8478.2553   -8478.2553    310.35683    310.35683    23887.428    23887.428     2471.452     2471.452 
Loop time of 5.50409 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.697 ns/day, 1.529 hours/ns, 181.683 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3134     | 5.3134     | 5.3134     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032282   | 0.032282   | 0.032282   |   0.0 |  0.59
Output  | 4.5949e-05 | 4.5949e-05 | 4.5949e-05 |   0.0 |  0.00
Modify  | 0.14009    | 0.14009    | 0.14009    |   0.0 |  2.55
Other   |            | 0.01828    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132372.0 ave      132372 max      132372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132372
Ave neighs/atom = 66.186000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.649986964712, Press = -1.85985461819547
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8398.0619   -8398.0619   -8478.2553   -8478.2553    310.35683    310.35683    23887.428    23887.428     2471.452     2471.452 
   15000   -8395.2707   -8395.2707   -8476.2137   -8476.2137    313.25792    313.25792     23910.04     23910.04    1352.5406    1352.5406 
Loop time of 5.50765 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.687 ns/day, 1.530 hours/ns, 181.566 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3165     | 5.3165     | 5.3165     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032173   | 0.032173   | 0.032173   |   0.0 |  0.58
Output  | 7.8958e-05 | 7.8958e-05 | 7.8958e-05 |   0.0 |  0.00
Modify  | 0.14054    | 0.14054    | 0.14054    |   0.0 |  2.55
Other   |            | 0.01832    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132906.0 ave      132906 max      132906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132906
Ave neighs/atom = 66.453000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.914939365, Press = -8.0722510427156
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.2707   -8395.2707   -8476.2137   -8476.2137    313.25792    313.25792     23910.04     23910.04    1352.5406    1352.5406 
   16000   -8396.9865   -8396.9865   -8477.2135   -8477.2135    310.48679    310.48679    23938.868    23938.868   -704.99661   -704.99661 
Loop time of 5.50638 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.691 ns/day, 1.530 hours/ns, 181.607 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3164     | 5.3164     | 5.3164     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031989   | 0.031989   | 0.031989   |   0.0 |  0.58
Output  | 6.9846e-05 | 6.9846e-05 | 6.9846e-05 |   0.0 |  0.00
Modify  | 0.1398     | 0.1398     | 0.1398     |   0.0 |  2.54
Other   |            | 0.01815    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132640.0 ave      132640 max      132640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132640
Ave neighs/atom = 66.320000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.072766377075, Press = -8.97510700487744
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.9865   -8396.9865   -8477.2135   -8477.2135    310.48679    310.48679    23938.868    23938.868   -704.99661   -704.99661 
   17000   -8397.2595   -8397.2595   -8476.4819   -8476.4819    306.59882    306.59882    23974.689    23974.689   -2977.5348   -2977.5348 
Loop time of 5.5039 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.698 ns/day, 1.529 hours/ns, 181.689 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3134     | 5.3134     | 5.3134     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032066   | 0.032066   | 0.032066   |   0.0 |  0.58
Output  | 4.6151e-05 | 4.6151e-05 | 4.6151e-05 |   0.0 |  0.00
Modify  | 0.14014    | 0.14014    | 0.14014    |   0.0 |  2.55
Other   |            | 0.01828    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132618.0 ave      132618 max      132618 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132618
Ave neighs/atom = 66.309000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.16963540647, Press = -2.73233213505115
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8397.2595   -8397.2595   -8476.4819   -8476.4819    306.59882    306.59882    23974.689    23974.689   -2977.5348   -2977.5348 
   18000   -8395.6822   -8395.6822   -8476.5915   -8476.5915    313.12736    313.12736    23924.619    23924.619     381.0546     381.0546 
Loop time of 5.48824 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.743 ns/day, 1.525 hours/ns, 182.208 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2977     | 5.2977     | 5.2977     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032052   | 0.032052   | 0.032052   |   0.0 |  0.58
Output  | 8.5773e-05 | 8.5773e-05 | 8.5773e-05 |   0.0 |  0.00
Modify  | 0.14007    | 0.14007    | 0.14007    |   0.0 |  2.55
Other   |            | 0.01831    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132128.0 ave      132128 max      132128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132128
Ave neighs/atom = 66.064000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.184094188239, Press = 4.78663371093218
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.6822   -8395.6822   -8476.5915   -8476.5915    313.12736    313.12736    23924.619    23924.619     381.0546     381.0546 
   19000   -8392.7317   -8392.7317   -8477.2646   -8477.2646    327.15103    327.15103    23902.795    23902.795    1947.3052    1947.3052 
Loop time of 5.51165 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.676 ns/day, 1.531 hours/ns, 181.434 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3196     | 5.3196     | 5.3196     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032242   | 0.032242   | 0.032242   |   0.0 |  0.58
Output  | 7.7337e-05 | 7.7337e-05 | 7.7337e-05 |   0.0 |  0.00
Modify  | 0.14116    | 0.14116    | 0.14116    |   0.0 |  2.56
Other   |            | 0.01856    |            |       |  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:      132626.0 ave      132626 max      132626 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132626
Ave neighs/atom = 66.313000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.344028216575, Press = -1.36329174197708
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8392.7317   -8392.7317   -8477.2646   -8477.2646    327.15103    327.15103    23902.795    23902.795    1947.3052    1947.3052 
   20000   -8394.1746   -8394.1746   -8476.4492   -8476.4492    318.41139    318.41139    23916.914    23916.914    1023.2712    1023.2712 
Loop time of 5.51545 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.665 ns/day, 1.532 hours/ns, 181.309 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3224     | 5.3224     | 5.3224     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032885   | 0.032885   | 0.032885   |   0.0 |  0.60
Output  | 7.2826e-05 | 7.2826e-05 | 7.2826e-05 |   0.0 |  0.00
Modify  | 0.14149    | 0.14149    | 0.14149    |   0.0 |  2.57
Other   |            | 0.01856    |            |       |  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:      132422.0 ave      132422 max      132422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132422
Ave neighs/atom = 66.211000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.383514225903, Press = -6.66528581683316
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8394.1746   -8394.1746   -8476.4492   -8476.4492    318.41139    318.41139    23916.914    23916.914    1023.2712    1023.2712 
   21000   -8398.9931   -8398.9931   -8478.9471   -8478.9471    309.43029    309.43029    23941.619    23941.619    -1225.225    -1225.225 
Loop time of 5.51706 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.661 ns/day, 1.533 hours/ns, 181.256 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3258     | 5.3258     | 5.3258     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032109   | 0.032109   | 0.032109   |   0.0 |  0.58
Output  | 8.4795e-05 | 8.4795e-05 | 8.4795e-05 |   0.0 |  0.00
Modify  | 0.1407     | 0.1407     | 0.1407     |   0.0 |  2.55
Other   |            | 0.01831    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132696.0 ave      132696 max      132696 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132696
Ave neighs/atom = 66.348000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.347857788232, Press = -5.96185380455933
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8398.9931   -8398.9931   -8478.9471   -8478.9471    309.43029    309.43029    23941.619    23941.619    -1225.225    -1225.225 
   22000   -8395.6589   -8395.6589    -8477.596    -8477.596    317.10484    317.10484    23978.388    23978.388   -3399.5823   -3399.5823 
Loop time of 5.52222 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.646 ns/day, 1.534 hours/ns, 181.087 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.33       | 5.33       | 5.33       |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032339   | 0.032339   | 0.032339   |   0.0 |  0.59
Output  | 0.00016598 | 0.00016598 | 0.00016598 |   0.0 |  0.00
Modify  | 0.14112    | 0.14112    | 0.14112    |   0.0 |  2.56
Other   |            | 0.01857    |            |       |  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:      132140.0 ave      132140 max      132140 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132140
Ave neighs/atom = 66.070000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.29699076483, Press = -2.74364527284914
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.6589   -8395.6589    -8477.596    -8477.596    317.10484    317.10484    23978.388    23978.388   -3399.5823   -3399.5823 
   23000   -8396.5919   -8396.5919   -8476.5578   -8476.5578    309.47663    309.47663    23936.983    23936.983   -529.34275   -529.34275 
Loop time of 5.52768 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.630 ns/day, 1.535 hours/ns, 180.908 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.334      | 5.334      | 5.334      |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032606   | 0.032606   | 0.032606   |   0.0 |  0.59
Output  | 7.781e-05  | 7.781e-05  | 7.781e-05  |   0.0 |  0.00
Modify  | 0.1421     | 0.1421     | 0.1421     |   0.0 |  2.57
Other   |            | 0.01886    |            |       |  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:      132058.0 ave      132058 max      132058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132058
Ave neighs/atom = 66.029000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.164260332749, Press = 5.81672797353737
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.5919   -8396.5919   -8476.5578   -8476.5578    309.47663    309.47663    23936.983    23936.983   -529.34275   -529.34275 
   24000   -8396.4666   -8396.4666   -8478.6781   -8478.6781    318.16699    318.16699    23893.293    23893.293    2068.4344    2068.4344 
Loop time of 5.54793 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.573 ns/day, 1.541 hours/ns, 180.247 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3541     | 5.3541     | 5.3541     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032436   | 0.032436   | 0.032436   |   0.0 |  0.58
Output  | 8.5084e-05 | 8.5084e-05 | 8.5084e-05 |   0.0 |  0.00
Modify  | 0.14245    | 0.14245    | 0.14245    |   0.0 |  2.57
Other   |            | 0.01882    |            |       |  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:      132520.0 ave      132520 max      132520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132520
Ave neighs/atom = 66.260000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.227541534055, Press = -0.482571476497717
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.4666   -8396.4666   -8478.6781   -8478.6781    318.16699    318.16699    23893.293    23893.293    2068.4344    2068.4344 
   25000    -8395.252    -8395.252   -8477.5611   -8477.5611    318.54482    318.54482    23915.352    23915.352    832.77806    832.77806 
Loop time of 5.4963 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.720 ns/day, 1.527 hours/ns, 181.940 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.306      | 5.306      | 5.306      |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03212    | 0.03212    | 0.03212    |   0.0 |  0.58
Output  | 8.2501e-05 | 8.2501e-05 | 8.2501e-05 |   0.0 |  0.00
Modify  | 0.13996    | 0.13996    | 0.13996    |   0.0 |  2.55
Other   |            | 0.01818    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132628.0 ave      132628 max      132628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132628
Ave neighs/atom = 66.314000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.22963559605, Press = -3.10308784467066
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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    -8395.252    -8395.252   -8477.5611   -8477.5611    318.54482    318.54482    23915.352    23915.352    832.77806    832.77806 
   26000   -8396.6346   -8396.6346   -8477.8994   -8477.8994    314.50322    314.50322    23938.995    23938.995   -901.07637   -901.07637 
Loop time of 5.50232 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.702 ns/day, 1.528 hours/ns, 181.742 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3102     | 5.3102     | 5.3102     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032318   | 0.032318   | 0.032318   |   0.0 |  0.59
Output  | 0.00041554 | 0.00041554 | 0.00041554 |   0.0 |  0.01
Modify  | 0.14091    | 0.14091    | 0.14091    |   0.0 |  2.56
Other   |            | 0.01844    |            |       |  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:      132624.0 ave      132624 max      132624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132624
Ave neighs/atom = 66.312000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.379342782775, Press = -4.6528265967095
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.6346   -8396.6346   -8477.8994   -8477.8994    314.50322    314.50322    23938.995    23938.995   -901.07637   -901.07637 
   27000   -8397.4418   -8397.4418   -8477.2541   -8477.2541    308.88193    308.88193    23962.599    23962.599   -2497.5953   -2497.5953 
Loop time of 5.53769 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.602 ns/day, 1.538 hours/ns, 180.581 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3438     | 5.3438     | 5.3438     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032456   | 0.032456   | 0.032456   |   0.0 |  0.59
Output  | 8.2528e-05 | 8.2528e-05 | 8.2528e-05 |   0.0 |  0.00
Modify  | 0.14243    | 0.14243    | 0.14243    |   0.0 |  2.57
Other   |            | 0.0189     |            |       |  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:      132444.0 ave      132444 max      132444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132444
Ave neighs/atom = 66.222000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.438178366966, Press = -2.68593548661556
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8397.4418   -8397.4418   -8477.2541   -8477.2541    308.88193    308.88193    23962.599    23962.599   -2497.5953   -2497.5953 
   28000   -8398.4942   -8398.4942   -8479.5503   -8479.5503     313.6953     313.6953    23960.425    23960.425   -2765.7943   -2765.7943 
Loop time of 5.51014 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.680 ns/day, 1.531 hours/ns, 181.483 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3191     | 5.3191     | 5.3191     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032122   | 0.032122   | 0.032122   |   0.0 |  0.58
Output  | 9.5752e-05 | 9.5752e-05 | 9.5752e-05 |   0.0 |  0.00
Modify  | 0.14046    | 0.14046    | 0.14046    |   0.0 |  2.55
Other   |            | 0.01837    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132094.0 ave      132094 max      132094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132094
Ave neighs/atom = 66.047000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.491239088635, Press = 2.12802534451578
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8398.4942   -8398.4942   -8479.5503   -8479.5503     313.6953     313.6953    23960.425    23960.425   -2765.7943   -2765.7943 
   29000   -8395.4397   -8395.4397   -8475.4966   -8475.4966    309.82854    309.82854    23909.866    23909.866    1560.4285    1560.4285 
Loop time of 5.49898 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.712 ns/day, 1.527 hours/ns, 181.852 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3076     | 5.3076     | 5.3076     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032281   | 0.032281   | 0.032281   |   0.0 |  0.59
Output  | 6.4444e-05 | 6.4444e-05 | 6.4444e-05 |   0.0 |  0.00
Modify  | 0.14067    | 0.14067    | 0.14067    |   0.0 |  2.56
Other   |            | 0.01833    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132002.0 ave      132002 max      132002 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132002
Ave neighs/atom = 66.001000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.373467866481, Press = 1.10636453723788
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.4397   -8395.4397   -8475.4966   -8475.4966    309.82854    309.82854    23909.866    23909.866    1560.4285    1560.4285 
   30000   -8399.4027   -8399.4027   -8478.2115   -8478.2115    304.99841    304.99841    23914.085    23914.085    578.99981    578.99981 
Loop time of 5.50305 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.700 ns/day, 1.529 hours/ns, 181.718 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3123     | 5.3123     | 5.3123     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032495   | 0.032495   | 0.032495   |   0.0 |  0.59
Output  | 8.2972e-05 | 8.2972e-05 | 8.2972e-05 |   0.0 |  0.00
Modify  | 0.13999    | 0.13999    | 0.13999    |   0.0 |  2.54
Other   |            | 0.01821    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132802.0 ave      132802 max      132802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132802
Ave neighs/atom = 66.401000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.311340647614, Press = -2.11193258963607
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8399.4027   -8399.4027   -8478.2115   -8478.2115    304.99841    304.99841    23914.085    23914.085    578.99981    578.99981 
   31000   -8395.8179   -8395.8179   -8475.8009   -8475.8009    309.54237    309.54237    23934.359    23934.359   -241.61989   -241.61989 
Loop time of 5.51901 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.655 ns/day, 1.533 hours/ns, 181.192 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3273     | 5.3273     | 5.3273     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032186   | 0.032186   | 0.032186   |   0.0 |  0.58
Output  | 8.3872e-05 | 8.3872e-05 | 8.3872e-05 |   0.0 |  0.00
Modify  | 0.14085    | 0.14085    | 0.14085    |   0.0 |  2.55
Other   |            | 0.01857    |            |       |  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:      132558.0 ave      132558 max      132558 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132558
Ave neighs/atom = 66.279000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.297728838539, Press = -1.72367111134807
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.8179   -8395.8179   -8475.8009   -8475.8009    309.54237    309.54237    23934.359    23934.359   -241.61989   -241.61989 
   32000   -8399.6534   -8399.6534   -8477.0677   -8477.0677    299.60158    299.60158    23927.756    23927.756   -113.70305   -113.70305 
Loop time of 5.50021 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.708 ns/day, 1.528 hours/ns, 181.811 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3103     | 5.3103     | 5.3103     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032008   | 0.032008   | 0.032008   |   0.0 |  0.58
Output  | 6.5405e-05 | 6.5405e-05 | 6.5405e-05 |   0.0 |  0.00
Modify  | 0.13967    | 0.13967    | 0.13967    |   0.0 |  2.54
Other   |            | 0.01817    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132638.0 ave      132638 max      132638 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132638
Ave neighs/atom = 66.319000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.188491378118, Press = -1.61077002266583
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8399.6534   -8399.6534   -8477.0677   -8477.0677    299.60158    299.60158    23927.756    23927.756   -113.70305   -113.70305 
   33000   -8395.5904   -8395.5904   -8476.1036   -8476.1036    311.59439    311.59439    23935.735    23935.735   -444.98028   -444.98028 
Loop time of 5.49763 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.716 ns/day, 1.527 hours/ns, 181.897 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3072     | 5.3072     | 5.3072     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03207    | 0.03207    | 0.03207    |   0.0 |  0.58
Output  | 5.8435e-05 | 5.8435e-05 | 5.8435e-05 |   0.0 |  0.00
Modify  | 0.14014    | 0.14014    | 0.14014    |   0.0 |  2.55
Other   |            | 0.01817    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132662.0 ave      132662 max      132662 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132662
Ave neighs/atom = 66.331000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.142808521858, Press = -1.07564518340112
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.5904   -8395.5904   -8476.1036   -8476.1036    311.59439    311.59439    23935.735    23935.735   -444.98028   -444.98028 
   34000   -8396.6676   -8396.6676   -8476.0474   -8476.0474    307.20795    307.20795     23904.64     23904.64     1663.986     1663.986 
Loop time of 5.49988 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.709 ns/day, 1.528 hours/ns, 181.822 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3089     | 5.3089     | 5.3089     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03218    | 0.03218    | 0.03218    |   0.0 |  0.59
Output  | 8.4738e-05 | 8.4738e-05 | 8.4738e-05 |   0.0 |  0.00
Modify  | 0.14013    | 0.14013    | 0.14013    |   0.0 |  2.55
Other   |            | 0.01859    |            |       |  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:      132516.0 ave      132516 max      132516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132516
Ave neighs/atom = 66.258000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.04453165306, Press = -0.753860496269562
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.6676   -8396.6676   -8476.0474   -8476.0474    307.20795    307.20795     23904.64     23904.64     1663.986     1663.986 
   35000   -8398.2867   -8398.2867   -8476.1781   -8476.1781    301.44792    301.44792    23903.916    23903.916    1667.7833    1667.7833 
Loop time of 5.52309 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.643 ns/day, 1.534 hours/ns, 181.058 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.332      | 5.332      | 5.332      |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032134   | 0.032134   | 0.032134   |   0.0 |  0.58
Output  | 6.0401e-05 | 6.0401e-05 | 6.0401e-05 |   0.0 |  0.00
Modify  | 0.14064    | 0.14064    | 0.14064    |   0.0 |  2.55
Other   |            | 0.0183     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132572.0 ave      132572 max      132572 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132572
Ave neighs/atom = 66.286000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.044494336075, Press = -3.00051310935114
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8398.2867   -8398.2867   -8476.1781   -8476.1781    301.44792    301.44792    23903.916    23903.916    1667.7833    1667.7833 
   36000   -8391.5703   -8391.5703   -8473.4017   -8473.4017    316.69585    316.69585    23951.414    23951.414   -833.27833   -833.27833 
Loop time of 5.49718 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.717 ns/day, 1.527 hours/ns, 181.912 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3069     | 5.3069     | 5.3069     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032167   | 0.032167   | 0.032167   |   0.0 |  0.59
Output  | 5.7746e-05 | 5.7746e-05 | 5.7746e-05 |   0.0 |  0.00
Modify  | 0.13989    | 0.13989    | 0.13989    |   0.0 |  2.54
Other   |            | 0.01815    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132530.0 ave      132530 max      132530 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132530
Ave neighs/atom = 66.265000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.133768569457, Press = -4.03984727470484
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8391.5703   -8391.5703   -8473.4017   -8473.4017    316.69585    316.69585    23951.414    23951.414   -833.27833   -833.27833 
   37000   -8396.5043   -8396.5043   -8477.7652   -8477.7652    314.48811    314.48811    23978.077    23978.077   -3576.4836   -3576.4836 
Loop time of 5.5021 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.703 ns/day, 1.528 hours/ns, 181.749 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3118     | 5.3118     | 5.3118     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032037   | 0.032037   | 0.032037   |   0.0 |  0.58
Output  | 5.7861e-05 | 5.7861e-05 | 5.7861e-05 |   0.0 |  0.00
Modify  | 0.14008    | 0.14008    | 0.14008    |   0.0 |  2.55
Other   |            | 0.01815    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132540.0 ave      132540 max      132540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132540
Ave neighs/atom = 66.270000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.152910559494, Press = -1.87803602752271
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.5043   -8396.5043   -8477.7652   -8477.7652    314.48811    314.48811    23978.077    23978.077   -3576.4836   -3576.4836 
   38000   -8394.1255   -8394.1255   -8475.0256   -8475.0256    313.09189    313.09189    23950.905    23950.905   -1169.5522   -1169.5522 
Loop time of 5.50419 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.697 ns/day, 1.529 hours/ns, 181.680 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3139     | 5.3139     | 5.3139     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032157   | 0.032157   | 0.032157   |   0.0 |  0.58
Output  | 8.522e-05  | 8.522e-05  | 8.522e-05  |   0.0 |  0.00
Modify  | 0.13993    | 0.13993    | 0.13993    |   0.0 |  2.54
Other   |            | 0.01816    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132042.0 ave      132042 max      132042 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132042
Ave neighs/atom = 66.021000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.203279633423, Press = 1.04207931764098
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8394.1255   -8394.1255   -8475.0256   -8475.0256    313.09189    313.09189    23950.905    23950.905   -1169.5522   -1169.5522 
   39000   -8395.3959   -8395.3959   -8476.1436   -8476.1436    312.50205    312.50205    23913.163    23913.163    984.76449    984.76449 
Loop time of 5.49965 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.710 ns/day, 1.528 hours/ns, 181.830 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.309      | 5.309      | 5.309      |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032042   | 0.032042   | 0.032042   |   0.0 |  0.58
Output  | 5.831e-05  | 5.831e-05  | 5.831e-05  |   0.0 |  0.00
Modify  | 0.14031    | 0.14031    | 0.14031    |   0.0 |  2.55
Other   |            | 0.01826    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132344.0 ave      132344 max      132344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132344
Ave neighs/atom = 66.172000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.218702978882, Press = -0.252911632550903
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.3959   -8395.3959   -8476.1436   -8476.1436    312.50205    312.50205    23913.163    23913.163    984.76449    984.76449 
   40000   -8393.1924   -8393.1924   -8477.9223   -8477.9223    327.91381    327.91381     23924.51     23924.51    204.53899    204.53899 
Loop time of 5.50707 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.689 ns/day, 1.530 hours/ns, 181.585 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3168     | 5.3168     | 5.3168     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032134   | 0.032134   | 0.032134   |   0.0 |  0.58
Output  | 5.9059e-05 | 5.9059e-05 | 5.9059e-05 |   0.0 |  0.00
Modify  | 0.13988    | 0.13988    | 0.13988    |   0.0 |  2.54
Other   |            | 0.01824    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132560.0 ave      132560 max      132560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132560
Ave neighs/atom = 66.280000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.325083792382, Press = -1.18286362910264
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8393.1924   -8393.1924   -8477.9223   -8477.9223    327.91381    327.91381     23924.51     23924.51    204.53899    204.53899 
   41000   -8395.9461   -8395.9461   -8478.2992   -8478.2992    318.71493    318.71493    23943.295    23943.295   -1170.3873   -1170.3873 
Loop time of 5.52809 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.629 ns/day, 1.536 hours/ns, 180.894 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.336      | 5.336      | 5.336      |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032329   | 0.032329   | 0.032329   |   0.0 |  0.58
Output  | 5.8844e-05 | 5.8844e-05 | 5.8844e-05 |   0.0 |  0.00
Modify  | 0.14133    | 0.14133    | 0.14133    |   0.0 |  2.56
Other   |            | 0.01842    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132518.0 ave      132518 max      132518 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132518
Ave neighs/atom = 66.259000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.362505886681, Press = -1.24905049851212
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.9461   -8395.9461   -8478.2992   -8478.2992    318.71493    318.71493    23943.295    23943.295   -1170.3873   -1170.3873 
   42000   -8399.9463   -8399.9463   -8478.0768   -8478.0768    302.37328    302.37328    23908.954    23908.954    905.95216    905.95216 
Loop time of 5.48861 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.742 ns/day, 1.525 hours/ns, 182.196 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2983     | 5.2983     | 5.2983     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032108   | 0.032108   | 0.032108   |   0.0 |  0.58
Output  | 5.8653e-05 | 5.8653e-05 | 5.8653e-05 |   0.0 |  0.00
Modify  | 0.14       | 0.14       | 0.14       |   0.0 |  2.55
Other   |            | 0.01815    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132438.0 ave      132438 max      132438 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132438
Ave neighs/atom = 66.219000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.369116264939, Press = 0.827998395691549
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8399.9463   -8399.9463   -8478.0768   -8478.0768    302.37328    302.37328    23908.954    23908.954    905.95216    905.95216 
   43000   -8394.1751   -8394.1751   -8476.3443   -8476.3443    318.00345    318.00345    23867.194    23867.194    4298.4439    4298.4439 
Loop time of 5.50959 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.682 ns/day, 1.530 hours/ns, 181.502 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3195     | 5.3195     | 5.3195     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032033   | 0.032033   | 0.032033   |   0.0 |  0.58
Output  | 5.8306e-05 | 5.8306e-05 | 5.8306e-05 |   0.0 |  0.00
Modify  | 0.13981    | 0.13981    | 0.13981    |   0.0 |  2.54
Other   |            | 0.01817    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132672.0 ave      132672 max      132672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132672
Ave neighs/atom = 66.336000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.322851987053, Press = -0.620934692680134
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8394.1751   -8394.1751   -8476.3443   -8476.3443    318.00345    318.00345    23867.194    23867.194    4298.4439    4298.4439 
   44000   -8396.3089   -8396.3089   -8479.4648   -8479.4648    321.82192    321.82192    23915.566    23915.566    469.90997    469.90997 
Loop time of 5.51094 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.678 ns/day, 1.531 hours/ns, 181.457 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.321      | 5.321      | 5.321      |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03197    | 0.03197    | 0.03197    |   0.0 |  0.58
Output  | 7.9798e-05 | 7.9798e-05 | 7.9798e-05 |   0.0 |  0.00
Modify  | 0.13977    | 0.13977    | 0.13977    |   0.0 |  2.54
Other   |            | 0.01814    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133060.0 ave      133060 max      133060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133060
Ave neighs/atom = 66.530000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.33651350649, Press = -2.92339566986394
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.3089   -8396.3089   -8479.4648   -8479.4648    321.82192    321.82192    23915.566    23915.566    469.90997    469.90997 
   45000   -8392.3475   -8392.3475   -8473.2875   -8473.2875     313.2462     313.2462    23960.741    23960.741   -1519.9203   -1519.9203 
Loop time of 5.49627 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.720 ns/day, 1.527 hours/ns, 181.941 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3058     | 5.3058     | 5.3058     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032197   | 0.032197   | 0.032197   |   0.0 |  0.59
Output  | 5.7417e-05 | 5.7417e-05 | 5.7417e-05 |   0.0 |  0.00
Modify  | 0.14004    | 0.14004    | 0.14004    |   0.0 |  2.55
Other   |            | 0.01822    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132558.0 ave      132558 max      132558 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132558
Ave neighs/atom = 66.279000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.395835411086, Press = -1.95131928383779
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8392.3475   -8392.3475   -8473.2875   -8473.2875     313.2462     313.2462    23960.741    23960.741   -1519.9203   -1519.9203 
   46000   -8398.9794   -8398.9794   -8478.0825   -8478.0825    306.13731    306.13731    23937.808    23937.808   -961.05708   -961.05708 
Loop time of 5.50292 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.701 ns/day, 1.529 hours/ns, 181.722 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    | 5.3125     | 5.3125     | 5.3125     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032266   | 0.032266   | 0.032266   |   0.0 |  0.59
Output  | 5.958e-05  | 5.958e-05  | 5.958e-05  |   0.0 |  0.00
Modify  | 0.13991    | 0.13991    | 0.13991    |   0.0 |  2.54
Other   |            | 0.01819    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132442.0 ave      132442 max      132442 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132442
Ave neighs/atom = 66.221000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.392646321519, Press = 0.0581185538420998
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8398.9794   -8398.9794   -8478.0825   -8478.0825    306.13731    306.13731    23937.808    23937.808   -961.05708   -961.05708 
   47000   -8396.8189   -8396.8189   -8477.5127   -8477.5127    312.29308    312.29308     23909.59     23909.59    1081.4772    1081.4772 
Loop time of 5.50013 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.709 ns/day, 1.528 hours/ns, 181.814 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3099     | 5.3099     | 5.3099     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032179   | 0.032179   | 0.032179   |   0.0 |  0.59
Output  | 5.9277e-05 | 5.9277e-05 | 5.9277e-05 |   0.0 |  0.00
Modify  | 0.13982    | 0.13982    | 0.13982    |   0.0 |  2.54
Other   |            | 0.01815    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132456.0 ave      132456 max      132456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132456
Ave neighs/atom = 66.228000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.428535341727, Press = 0.682383949249469
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.8189   -8396.8189   -8477.5127   -8477.5127    312.29308    312.29308     23909.59     23909.59    1081.4772    1081.4772 
   48000   -8394.0977   -8394.0977   -8476.3235   -8476.3235      318.222      318.222    23889.551    23889.551    2891.9342    2891.9342 
Loop time of 5.50894 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.684 ns/day, 1.530 hours/ns, 181.523 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3183     | 5.3183     | 5.3183     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032259   | 0.032259   | 0.032259   |   0.0 |  0.59
Output  | 5.7569e-05 | 5.7569e-05 | 5.7569e-05 |   0.0 |  0.00
Modify  | 0.14014    | 0.14014    | 0.14014    |   0.0 |  2.54
Other   |            | 0.01816    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132624.0 ave      132624 max      132624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132624
Ave neighs/atom = 66.312000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.449858987306, Press = -0.436703567918172
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8394.0977   -8394.0977   -8476.3235   -8476.3235      318.222      318.222    23889.551    23889.551    2891.9342    2891.9342 
   49000   -8395.9268   -8395.9268   -8476.3918   -8476.3918     311.4078     311.4078    23886.638    23886.638    2961.4576    2961.4576 
Loop time of 5.53713 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.604 ns/day, 1.538 hours/ns, 180.599 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3446     | 5.3446     | 5.3446     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032434   | 0.032434   | 0.032434   |   0.0 |  0.59
Output  | 5.9389e-05 | 5.9389e-05 | 5.9389e-05 |   0.0 |  0.00
Modify  | 0.14161    | 0.14161    | 0.14161    |   0.0 |  2.56
Other   |            | 0.01845    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132818.0 ave      132818 max      132818 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132818
Ave neighs/atom = 66.409000
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 = 313.446658022978, Press = -2.38894575327547
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.9268   -8395.9268   -8476.3918   -8476.3918     311.4078     311.4078    23886.638    23886.638    2961.4576    2961.4576 
   50000   -8397.4729   -8397.4729   -8477.9063   -8477.9063    311.28535    311.28535    23930.091    23930.091   -290.52795   -290.52795 
Loop time of 5.52271 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.644 ns/day, 1.534 hours/ns, 181.071 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3307     | 5.3307     | 5.3307     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032244   | 0.032244   | 0.032244   |   0.0 |  0.58
Output  | 5.9717e-05 | 5.9717e-05 | 5.9717e-05 |   0.0 |  0.00
Modify  | 0.14137    | 0.14137    | 0.14137    |   0.0 |  2.56
Other   |            | 0.0183     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132882.0 ave      132882 max      132882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132882
Ave neighs/atom = 66.441000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.429606177172, Press = -2.49978125794598
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8397.4729   -8397.4729   -8477.9063   -8477.9063    311.28535    311.28535    23930.091    23930.091   -290.52795   -290.52795 
   51000    -8394.517    -8394.517   -8477.1974   -8477.1974    319.98186    319.98186    23948.296    23948.296   -1364.6525   -1364.6525 
Loop time of 5.52242 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.645 ns/day, 1.534 hours/ns, 181.080 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3296     | 5.3296     | 5.3296     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032535   | 0.032535   | 0.032535   |   0.0 |  0.59
Output  | 5.9827e-05 | 5.9827e-05 | 5.9827e-05 |   0.0 |  0.00
Modify  | 0.14183    | 0.14183    | 0.14183    |   0.0 |  2.57
Other   |            | 0.01836    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132374.0 ave      132374 max      132374 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132374
Ave neighs/atom = 66.187000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.448424261646, Press = -1.25224933798793
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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    -8394.517    -8394.517   -8477.1974   -8477.1974    319.98186    319.98186    23948.296    23948.296   -1364.6525   -1364.6525 
   52000   -8392.5988   -8392.5988   -8477.0445   -8477.0445    326.81352    326.81352    23950.404    23950.404   -1339.8231   -1339.8231 
Loop time of 5.50519 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.694 ns/day, 1.529 hours/ns, 181.647 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3142     | 5.3142     | 5.3142     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032236   | 0.032236   | 0.032236   |   0.0 |  0.59
Output  | 6.0377e-05 | 6.0377e-05 | 6.0377e-05 |   0.0 |  0.00
Modify  | 0.14043    | 0.14043    | 0.14043    |   0.0 |  2.55
Other   |            | 0.01823    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132252.0 ave      132252 max      132252 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132252
Ave neighs/atom = 66.126000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.436898177564, Press = -0.590133531271439
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8392.5988   -8392.5988   -8477.0445   -8477.0445    326.81352    326.81352    23950.404    23950.404   -1339.8231   -1339.8231 
   53000   -8396.3407   -8396.3407   -8477.5574   -8477.5574    314.31704    314.31704    23923.661    23923.661    311.91821    311.91821 
Loop time of 5.49384 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.727 ns/day, 1.526 hours/ns, 182.022 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3034     | 5.3034     | 5.3034     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032125   | 0.032125   | 0.032125   |   0.0 |  0.58
Output  | 5.9051e-05 | 5.9051e-05 | 5.9051e-05 |   0.0 |  0.00
Modify  | 0.14012    | 0.14012    | 0.14012    |   0.0 |  2.55
Other   |            | 0.01813    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132384.0 ave      132384 max      132384 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132384
Ave neighs/atom = 66.192000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.502986400556, Press = 0.365788192370028
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.3407   -8396.3407   -8477.5574   -8477.5574    314.31704    314.31704    23923.661    23923.661    311.91821    311.91821 
   54000   -8391.3281   -8391.3281   -8476.7439   -8476.7439    330.56764    330.56764    23853.911    23853.911    5430.0695    5430.0695 
Loop time of 5.48812 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.743 ns/day, 1.524 hours/ns, 182.212 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2983     | 5.2983     | 5.2983     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032072   | 0.032072   | 0.032072   |   0.0 |  0.58
Output  | 5.8428e-05 | 5.8428e-05 | 5.8428e-05 |   0.0 |  0.00
Modify  | 0.13962    | 0.13962    | 0.13962    |   0.0 |  2.54
Other   |            | 0.0181     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132478.0 ave      132478 max      132478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132478
Ave neighs/atom = 66.239000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.517164270099, Press = 0.405252065044822
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8391.3281   -8391.3281   -8476.7439   -8476.7439    330.56764    330.56764    23853.911    23853.911    5430.0695    5430.0695 
   55000   -8396.5293   -8396.5293   -8476.2591   -8476.2591    308.56246    308.56246     23908.95     23908.95    1266.8512    1266.8512 
Loop time of 5.49223 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.731 ns/day, 1.526 hours/ns, 182.075 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3024     | 5.3024     | 5.3024     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031968   | 0.031968   | 0.031968   |   0.0 |  0.58
Output  | 8.3539e-05 | 8.3539e-05 | 8.3539e-05 |   0.0 |  0.00
Modify  | 0.13961    | 0.13961    | 0.13961    |   0.0 |  2.54
Other   |            | 0.01815    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133110.0 ave      133110 max      133110 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133110
Ave neighs/atom = 66.555000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.52120270414, Press = -1.80879933996206
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.5293   -8396.5293   -8476.2591   -8476.2591    308.56246    308.56246     23908.95     23908.95    1266.8512    1266.8512 
   56000   -8395.1085   -8395.1085   -8474.2177   -8474.2177    306.16114    306.16114    23947.832    23947.832    -879.9343    -879.9343 
Loop time of 5.50104 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.706 ns/day, 1.528 hours/ns, 181.784 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3109     | 5.3109     | 5.3109     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032106   | 0.032106   | 0.032106   |   0.0 |  0.58
Output  | 6.064e-05  | 6.064e-05  | 6.064e-05  |   0.0 |  0.00
Modify  | 0.13976    | 0.13976    | 0.13976    |   0.0 |  2.54
Other   |            | 0.01825    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132690.0 ave      132690 max      132690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132690
Ave neighs/atom = 66.345000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.494741221798, Press = -1.31693338780282
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8395.1085   -8395.1085   -8474.2177   -8474.2177    306.16114    306.16114    23947.832    23947.832    -879.9343    -879.9343 
   57000   -8399.9658   -8399.9658   -8477.9082   -8477.9082    301.64513    301.64513    23934.907    23934.907   -613.13994   -613.13994 
Loop time of 5.4946 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.725 ns/day, 1.526 hours/ns, 181.997 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3045     | 5.3045     | 5.3045     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032224   | 0.032224   | 0.032224   |   0.0 |  0.59
Output  | 5.8441e-05 | 5.8441e-05 | 5.8441e-05 |   0.0 |  0.00
Modify  | 0.1397     | 0.1397     | 0.1397     |   0.0 |  2.54
Other   |            | 0.01811    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132366.0 ave      132366 max      132366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132366
Ave neighs/atom = 66.183000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.44236949086, Press = 0.064619307646599
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8399.9658   -8399.9658   -8477.9082   -8477.9082    301.64513    301.64513    23934.907    23934.907   -613.13994   -613.13994 
   58000   -8396.2623   -8396.2623   -8476.6454   -8476.6454    311.09072    311.09072     23914.65     23914.65    919.82514    919.82514 
Loop time of 5.49808 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.715 ns/day, 1.527 hours/ns, 181.882 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3086     | 5.3086     | 5.3086     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031864   | 0.031864   | 0.031864   |   0.0 |  0.58
Output  | 6.1617e-05 | 6.1617e-05 | 6.1617e-05 |   0.0 |  0.00
Modify  | 0.13946    | 0.13946    | 0.13946    |   0.0 |  2.54
Other   |            | 0.01809    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132256.0 ave      132256 max      132256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132256
Ave neighs/atom = 66.128000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.427057832794, Press = 0.682652165415257
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8396.2623   -8396.2623   -8476.6454   -8476.6454    311.09072    311.09072     23914.65     23914.65    919.82514    919.82514 
   59000    -8394.337    -8394.337   -8476.2045   -8476.2045     316.8357     316.8357    23850.622    23850.622     5457.788     5457.788 
Loop time of 5.49142 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.734 ns/day, 1.525 hours/ns, 182.102 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3017     | 5.3017     | 5.3017     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031947   | 0.031947   | 0.031947   |   0.0 |  0.58
Output  | 5.8071e-05 | 5.8071e-05 | 5.8071e-05 |   0.0 |  0.00
Modify  | 0.13963    | 0.13963    | 0.13963    |   0.0 |  2.54
Other   |            | 0.0181     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132700.0 ave      132700 max      132700 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132700
Ave neighs/atom = 66.350000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.414191603833, Press = -0.199241285744764
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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    -8394.337    -8394.337   -8476.2045   -8476.2045     316.8357     316.8357    23850.622    23850.622     5457.788     5457.788 
   60000   -8399.2196   -8399.2196   -8478.9792   -8478.9792    308.67814    308.67814    23909.978    23909.978    779.17848    779.17848 
Loop time of 5.51524 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.666 ns/day, 1.532 hours/ns, 181.316 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3241     | 5.3241     | 5.3241     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032173   | 0.032173   | 0.032173   |   0.0 |  0.58
Output  | 6.0319e-05 | 6.0319e-05 | 6.0319e-05 |   0.0 |  0.00
Modify  | 0.14066    | 0.14066    | 0.14066    |   0.0 |  2.55
Other   |            | 0.01826    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133100.0 ave      133100 max      133100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133100
Ave neighs/atom = 66.550000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.371924645777, Press = -1.29411493680228
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8399.2196   -8399.2196   -8478.9792   -8478.9792    308.67814    308.67814    23909.978    23909.978    779.17848    779.17848 
   61000   -8394.7659   -8394.7659    -8475.606    -8475.606    312.85932    312.85932    23944.714    23944.714   -896.26474   -896.26474 
Loop time of 5.49808 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.715 ns/day, 1.527 hours/ns, 181.882 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3077     | 5.3077     | 5.3077     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03202    | 0.03202    | 0.03202    |   0.0 |  0.58
Output  | 5.7619e-05 | 5.7619e-05 | 5.7619e-05 |   0.0 |  0.00
Modify  | 0.14009    | 0.14009    | 0.14009    |   0.0 |  2.55
Other   |            | 0.0182     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132588.0 ave      132588 max      132588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132588
Ave neighs/atom = 66.294000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.358657512577, Press = -1.08272773604644
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8394.7659   -8394.7659    -8475.606    -8475.606    312.85932    312.85932    23944.714    23944.714   -896.26474   -896.26474 
   62000   -8391.5598   -8391.5598   -8471.9279   -8471.9279    311.03304    311.03304    23951.848    23951.848   -579.17556   -579.17556 
Loop time of 5.50314 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.700 ns/day, 1.529 hours/ns, 181.715 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3133     | 5.3133     | 5.3133     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03191    | 0.03191    | 0.03191    |   0.0 |  0.58
Output  | 5.7429e-05 | 5.7429e-05 | 5.7429e-05 |   0.0 |  0.00
Modify  | 0.13979    | 0.13979    | 0.13979    |   0.0 |  2.54
Other   |            | 0.0181     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132538.0 ave      132538 max      132538 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132538
Ave neighs/atom = 66.269000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.363433066635, Press = -0.258047710995749
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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   -8391.5598   -8391.5598   -8471.9279   -8471.9279    311.03304    311.03304    23951.848    23951.848   -579.17556   -579.17556 
   63000   -8396.3413   -8396.3413    -8475.602    -8475.602    306.74735    306.74735    23923.605    23923.605    596.75118    596.75118 
Loop time of 5.50091 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.707 ns/day, 1.528 hours/ns, 181.788 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3104     | 5.3104     | 5.3104     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032234   | 0.032234   | 0.032234   |   0.0 |  0.59
Output  | 5.9983e-05 | 5.9983e-05 | 5.9983e-05 |   0.0 |  0.00
Modify  | 0.14001    | 0.14001    | 0.14001    |   0.0 |  2.55
Other   |            | 0.01822    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132644.0 ave      132644 max      132644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132644
Ave neighs/atom = 66.322000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.40491248214, Press = 0.337064772580407
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -8396.3413   -8396.3413    -8475.602    -8475.602    306.74735    306.74735    23923.605    23923.605    596.75118    596.75118 
   64000   -8395.1024   -8395.1024   -8476.1358   -8476.1358    313.60751    313.60751    23893.493    23893.493    2600.6547    2600.6547 
Loop time of 5.51782 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.658 ns/day, 1.533 hours/ns, 181.231 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3273     | 5.3273     | 5.3273     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032037   | 0.032037   | 0.032037   |   0.0 |  0.58
Output  | 5.9272e-05 | 5.9272e-05 | 5.9272e-05 |   0.0 |  0.00
Modify  | 0.14027    | 0.14027    | 0.14027    |   0.0 |  2.54
Other   |            | 0.01814    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132524.0 ave      132524 max      132524 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132524
Ave neighs/atom = 66.262000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.397482489996, Press = -0.401647953459414
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -8395.1024   -8395.1024   -8476.1358   -8476.1358    313.60751    313.60751    23893.493    23893.493    2600.6547    2600.6547 
   65000   -8397.5216   -8397.5216    -8476.344    -8476.344    305.05082    305.05082    23920.026    23920.026       609.65       609.65 
Loop time of 5.52775 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.630 ns/day, 1.535 hours/ns, 180.905 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3369     | 5.3369     | 5.3369     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032334   | 0.032334   | 0.032334   |   0.0 |  0.58
Output  | 5.8487e-05 | 5.8487e-05 | 5.8487e-05 |   0.0 |  0.00
Modify  | 0.14022    | 0.14022    | 0.14022    |   0.0 |  2.54
Other   |            | 0.01819    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132838.0 ave      132838 max      132838 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132838
Ave neighs/atom = 66.419000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.36095850678, Press = -1.71783874473874
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -8397.5216   -8397.5216    -8476.344    -8476.344    305.05082    305.05082    23920.026    23920.026       609.65       609.65 
   66000   -8394.6702   -8394.6702   -8475.6705   -8475.6705     313.4795     313.4795    23961.657    23961.657   -2032.5314   -2032.5314 
Loop time of 5.5185 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.656 ns/day, 1.533 hours/ns, 181.209 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3277     | 5.3277     | 5.3277     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032176   | 0.032176   | 0.032176   |   0.0 |  0.58
Output  | 5.84e-05   | 5.84e-05   | 5.84e-05   |   0.0 |  0.00
Modify  | 0.14039    | 0.14039    | 0.14039    |   0.0 |  2.54
Other   |            | 0.01815    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132478.0 ave      132478 max      132478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132478
Ave neighs/atom = 66.239000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.311209627245, Press = -1.29874668550015
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -8394.6702   -8394.6702   -8475.6705   -8475.6705     313.4795     313.4795    23961.657    23961.657   -2032.5314   -2032.5314 
   67000   -8397.3425   -8397.3425   -8476.8986   -8476.8986    307.89025    307.89025     23957.47     23957.47   -1979.0435   -1979.0435 
Loop time of 5.51451 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.668 ns/day, 1.532 hours/ns, 181.340 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3229     | 5.3229     | 5.3229     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03225    | 0.03225    | 0.03225    |   0.0 |  0.58
Output  | 5.9779e-05 | 5.9779e-05 | 5.9779e-05 |   0.0 |  0.00
Modify  | 0.14097    | 0.14097    | 0.14097    |   0.0 |  2.56
Other   |            | 0.01836    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132418.0 ave      132418 max      132418 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132418
Ave neighs/atom = 66.209000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.309404605956, Press = -0.298479972084296
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -8397.3425   -8397.3425   -8476.8986   -8476.8986    307.89025    307.89025     23957.47     23957.47   -1979.0435   -1979.0435 
   68000   -8392.1513   -8392.1513   -8474.4727   -8474.4727    318.59256    318.59256    23940.933    23940.933   -283.02137   -283.02137 
Loop time of 5.5013 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.705 ns/day, 1.528 hours/ns, 181.775 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3112     | 5.3112     | 5.3112     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032024   | 0.032024   | 0.032024   |   0.0 |  0.58
Output  | 6.0259e-05 | 6.0259e-05 | 6.0259e-05 |   0.0 |  0.00
Modify  | 0.13993    | 0.13993    | 0.13993    |   0.0 |  2.54
Other   |            | 0.01809    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132208.0 ave      132208 max      132208 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132208
Ave neighs/atom = 66.104000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.363473129106, Press = -0.0851748395303494
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -8392.1513   -8392.1513   -8474.4727   -8474.4727    318.59256    318.59256    23940.933    23940.933   -283.02137   -283.02137 
   69000   -8397.0321   -8397.0321   -8477.7601   -8477.7601    312.42591    312.42591    23914.313    23914.313    837.80602    837.80602 
Loop time of 5.31176 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.266 ns/day, 1.475 hours/ns, 188.262 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    | 5.1277     | 5.1277     | 5.1277     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031575   | 0.031575   | 0.031575   |   0.0 |  0.59
Output  | 5.5316e-05 | 5.5316e-05 | 5.5316e-05 |   0.0 |  0.00
Modify  | 0.13564    | 0.13564    | 0.13564    |   0.0 |  2.55
Other   |            | 0.01682    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132768.0 ave      132768 max      132768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132768
Ave neighs/atom = 66.384000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.376938886417, Press = -0.345016552732955
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -8397.0321   -8397.0321   -8477.7601   -8477.7601    312.42591    312.42591    23914.313    23914.313    837.80602    837.80602 
   70000   -8399.2082   -8399.2082   -8478.1777   -8478.1777       305.62       305.62    23911.136    23911.136    879.11833    879.11833 
Loop time of 5.31439 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.258 ns/day, 1.476 hours/ns, 188.168 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1305     | 5.1305     | 5.1305     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031483   | 0.031483   | 0.031483   |   0.0 |  0.59
Output  | 6.0892e-05 | 6.0892e-05 | 6.0892e-05 |   0.0 |  0.00
Modify  | 0.13558    | 0.13558    | 0.13558    |   0.0 |  2.55
Other   |            | 0.01681    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132628.0 ave      132628 max      132628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132628
Ave neighs/atom = 66.314000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.372167773803, Press = -0.685929595749385
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -8399.2082   -8399.2082   -8478.1777   -8478.1777       305.62       305.62    23911.136    23911.136    879.11833    879.11833 
   71000   -8394.1675   -8394.1675   -8477.7378   -8477.7378    323.42561    323.42561    23924.469    23924.469    332.91595    332.91595 
Loop time of 5.3181 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.246 ns/day, 1.477 hours/ns, 188.037 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1341     | 5.1341     | 5.1341     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031567   | 0.031567   | 0.031567   |   0.0 |  0.59
Output  | 5.3349e-05 | 5.3349e-05 | 5.3349e-05 |   0.0 |  0.00
Modify  | 0.1356     | 0.1356     | 0.1356     |   0.0 |  2.55
Other   |            | 0.01681    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132732.0 ave      132732 max      132732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132732
Ave neighs/atom = 66.366000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.335844513612, Press = -1.36853528856803
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -8394.1675   -8394.1675   -8477.7378   -8477.7378    323.42561    323.42561    23924.469    23924.469    332.91595    332.91595 
   72000   -8398.7107   -8398.7107   -8478.8151   -8478.8151    310.01227    310.01227    23964.393    23964.393   -2854.8908   -2854.8908 
Loop time of 5.32044 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.239 ns/day, 1.478 hours/ns, 187.954 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1363     | 5.1363     | 5.1363     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031539   | 0.031539   | 0.031539   |   0.0 |  0.59
Output  | 5.2111e-05 | 5.2111e-05 | 5.2111e-05 |   0.0 |  0.00
Modify  | 0.13574    | 0.13574    | 0.13574    |   0.0 |  2.55
Other   |            | 0.01686    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132426.0 ave      132426 max      132426 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132426
Ave neighs/atom = 66.213000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.300568293099, Press = -1.7792285403904
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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 
   72000   -8398.7107   -8398.7107   -8478.8151   -8478.8151    310.01227    310.01227    23964.393    23964.393   -2854.8908   -2854.8908 
   73000   -8396.1195   -8396.1195   -8476.0366   -8476.0366    309.28724    309.28724    23967.588    23967.588   -2599.3471   -2599.3471 
Loop time of 5.30087 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.299 ns/day, 1.472 hours/ns, 188.648 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1171     | 5.1171     | 5.1171     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031489   | 0.031489   | 0.031489   |   0.0 |  0.59
Output  | 4.3824e-05 | 4.3824e-05 | 4.3824e-05 |   0.0 |  0.00
Modify  | 0.13551    | 0.13551    | 0.13551    |   0.0 |  2.56
Other   |            | 0.01676    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131978.0 ave      131978 max      131978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131978
Ave neighs/atom = 65.989000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.313178803074, Press = -0.21838293903123
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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 
   73000   -8396.1195   -8396.1195   -8476.0366   -8476.0366    309.28724    309.28724    23967.588    23967.588   -2599.3471   -2599.3471 
   74000   -8391.1392   -8391.1392    -8472.076    -8472.076    313.23375    313.23375    23934.389    23934.389    464.76692    464.76692 
Loop time of 5.31369 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.260 ns/day, 1.476 hours/ns, 188.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1292     | 5.1292     | 5.1292     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03156    | 0.03156    | 0.03156    |   0.0 |  0.59
Output  | 5.5401e-05 | 5.5401e-05 | 5.5401e-05 |   0.0 |  0.00
Modify  | 0.13603    | 0.13603    | 0.13603    |   0.0 |  2.56
Other   |            | 0.01689    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132084.0 ave      132084 max      132084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132084
Ave neighs/atom = 66.042000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.335442540705, Press = 0.515662216633933
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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 
   74000   -8391.1392   -8391.1392    -8472.076    -8472.076    313.23375    313.23375    23934.389    23934.389    464.76692    464.76692 
   75000   -8396.0564   -8396.0564   -8475.1443   -8475.1443    306.07842    306.07842    23904.346    23904.346    1858.3554    1858.3554 
Loop time of 5.31794 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.247 ns/day, 1.477 hours/ns, 188.043 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1339     | 5.1339     | 5.1339     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031453   | 0.031453   | 0.031453   |   0.0 |  0.59
Output  | 4.8864e-05 | 4.8864e-05 | 4.8864e-05 |   0.0 |  0.00
Modify  | 0.13571    | 0.13571    | 0.13571    |   0.0 |  2.55
Other   |            | 0.0168     |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132508.0 ave      132508 max      132508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132508
Ave neighs/atom = 66.254000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.355350402591, Press = -0.39320982384192
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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 
   75000   -8396.0564   -8396.0564   -8475.1443   -8475.1443    306.07842    306.07842    23904.346    23904.346    1858.3554    1858.3554 
   76000   -8395.1903   -8395.1903   -8475.8169   -8475.8169    312.03337    312.03337    23921.731    23921.731    673.55505    673.55505 
Loop time of 5.33051 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.209 ns/day, 1.481 hours/ns, 187.599 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1464     | 5.1464     | 5.1464     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031519   | 0.031519   | 0.031519   |   0.0 |  0.59
Output  | 5.2077e-05 | 5.2077e-05 | 5.2077e-05 |   0.0 |  0.00
Modify  | 0.13568    | 0.13568    | 0.13568    |   0.0 |  2.55
Other   |            | 0.01682    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132874.0 ave      132874 max      132874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132874
Ave neighs/atom = 66.437000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.315210796245, Press = -0.890696367424813
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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 
   76000   -8395.1903   -8395.1903   -8475.8169   -8475.8169    312.03337    312.03337    23921.731    23921.731    673.55505    673.55505 
   77000   -8399.6816   -8399.6816   -8478.9905   -8478.9905    306.93335    306.93335    23970.895    23970.895   -3375.5853   -3375.5853 
Loop time of 5.31895 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.244 ns/day, 1.477 hours/ns, 188.007 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1348     | 5.1348     | 5.1348     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031537   | 0.031537   | 0.031537   |   0.0 |  0.59
Output  | 8.035e-05  | 8.035e-05  | 8.035e-05  |   0.0 |  0.00
Modify  | 0.13574    | 0.13574    | 0.13574    |   0.0 |  2.55
Other   |            | 0.01676    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132730.0 ave      132730 max      132730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132730
Ave neighs/atom = 66.365000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.294016280883, Press = -1.64670617301104
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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 
   77000   -8399.6816   -8399.6816   -8478.9905   -8478.9905    306.93335    306.93335    23970.895    23970.895   -3375.5853   -3375.5853 
   78000   -8394.2198   -8394.2198   -8474.9537   -8474.9537    312.44865    312.44865    23985.415    23985.415   -3587.9512   -3587.9512 
Loop time of 5.31237 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.264 ns/day, 1.476 hours/ns, 188.240 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1276     | 5.1276     | 5.1276     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031661   | 0.031661   | 0.031661   |   0.0 |  0.60
Output  | 5.6453e-05 | 5.6453e-05 | 5.6453e-05 |   0.0 |  0.00
Modify  | 0.13609    | 0.13609    | 0.13609    |   0.0 |  2.56
Other   |            | 0.01692    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131978.0 ave      131978 max      131978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131978
Ave neighs/atom = 65.989000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.26328202328, Press = 0.368296904731927
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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 
   78000   -8394.2198   -8394.2198   -8474.9537   -8474.9537    312.44865    312.44865    23985.415    23985.415   -3587.9512   -3587.9512 
   79000   -8393.0254   -8393.0254   -8474.1109   -8474.1109    313.80954    313.80954    23935.689    23935.689   -35.921338   -35.921338 
Loop time of 5.30977 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.272 ns/day, 1.475 hours/ns, 188.332 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1256     | 5.1256     | 5.1256     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031473   | 0.031473   | 0.031473   |   0.0 |  0.59
Output  | 5.1939e-05 | 5.1939e-05 | 5.1939e-05 |   0.0 |  0.00
Modify  | 0.13576    | 0.13576    | 0.13576    |   0.0 |  2.56
Other   |            | 0.01684    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132218.0 ave      132218 max      132218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132218
Ave neighs/atom = 66.109000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.249895376441, Press = 0.287152345874237
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      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 
   79000   -8393.0254   -8393.0254   -8474.1109   -8474.1109    313.80954    313.80954    23935.689    23935.689   -35.921338   -35.921338 
   80000   -8396.1843   -8396.1843   -8478.7839   -8478.7839    319.66903    319.66903     23908.28     23908.28    1004.7646    1004.7646 
Loop time of 5.30858 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.276 ns/day, 1.475 hours/ns, 188.374 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    | 5.1246     | 5.1246     | 5.1246     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031494   | 0.031494   | 0.031494   |   0.0 |  0.59
Output  | 4.655e-05  | 4.655e-05  | 4.655e-05  |   0.0 |  0.00
Modify  | 0.13561    | 0.13561    | 0.13561    |   0.0 |  2.55
Other   |            | 0.01682    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132696.0 ave      132696 max      132696 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132696
Ave neighs/atom = 66.348000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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
23929.2218795764

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0