# 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 2.8667457550764093*${_u_distance}
variable latticeconst_converted equal 2.8667457550764093*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.86674575507641
Lattice spacing in x,y,z = 2.8667458 2.8667458 2.8667458
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 (28.667458 28.667458 28.667458)
  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 (28.667458 28.667458 28.667458)
  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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 23559.5794763511    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23559.5794763511/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23559.5794763511/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23559.5794763511/(1*1*${_u_distance})
variable      V0_metal equal 23559.5794763511/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23559.5794763511*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23559.5794763511 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 333.15*${_u_temperature}
variable temp_converted equal 333.15*1
variable Tdamp_converted equal 0.1*${_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 333.15 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 333.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 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  "333.15 - 0.2"
variable      T_up  equal  "333.15 + 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_036303866285_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 = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -8474.5521   -8474.5521    -8560.635    -8560.635       333.15       333.15    23559.579    23559.579    3902.7112    3902.7112 
    1000   -8386.8894   -8386.8894   -8469.0577   -8469.0577    317.99982    317.99982    23460.606    23460.606    2023.3436    2023.3436 
Loop time of 13.4015 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.447 ns/day, 3.723 hours/ns, 74.619 timesteps/s
98.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.155     | 13.155     | 13.155     |   0.0 | 98.16
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046226   | 0.046226   | 0.046226   |   0.0 |  0.34
Output  | 0.00029141 | 0.00029141 | 0.00029141 |   0.0 |  0.00
Modify  | 0.17191    | 0.17191    | 0.17191    |   0.0 |  1.28
Other   |            | 0.02815    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336000.0 ave      336000 max      336000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336000
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8386.8894   -8386.8894   -8469.0577   -8469.0577    317.99982    317.99982    23460.606    23460.606    2023.3436    2023.3436 
    2000   -8385.0504   -8385.0504   -8472.7048   -8472.7048    339.23165    339.23165    23530.245    23530.245   -3540.0205   -3540.0205 
Loop time of 13.1593 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.566 ns/day, 3.655 hours/ns, 75.992 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    | 12.935     | 12.935     | 12.935     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044685   | 0.044685   | 0.044685   |   0.0 |  0.34
Output  | 0.00020748 | 0.00020748 | 0.00020748 |   0.0 |  0.00
Modify  | 0.1542     | 0.1542     | 0.1542     |   0.0 |  1.17
Other   |            | 0.02555    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335966.0 ave      335966 max      335966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335966
Ave neighs/atom = 167.98300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -8385.0504   -8385.0504   -8472.7048   -8472.7048    339.23165    339.23165    23530.245    23530.245   -3540.0205   -3540.0205 
    3000   -8389.2231   -8389.2231   -8473.3214   -8473.3214    325.46905    325.46905     23478.64     23478.64    141.92459    141.92459 
Loop time of 13.091 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.600 ns/day, 3.636 hours/ns, 76.388 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    | 12.869     | 12.869     | 12.869     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044586   | 0.044586   | 0.044586   |   0.0 |  0.34
Output  | 0.00013847 | 0.00013847 | 0.00013847 |   0.0 |  0.00
Modify  | 0.15258    | 0.15258    | 0.15258    |   0.0 |  1.17
Other   |            | 0.02487    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -8389.2231   -8389.2231   -8473.3214   -8473.3214    325.46905    325.46905     23478.64     23478.64    141.92459    141.92459 
    4000   -8384.1912   -8384.1912     -8471.73     -8471.73    338.78423    338.78423    23513.547    23513.547   -2129.8108   -2129.8108 
Loop time of 12.8814 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.707 ns/day, 3.578 hours/ns, 77.631 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    | 12.667     | 12.667     | 12.667     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043119   | 0.043119   | 0.043119   |   0.0 |  0.33
Output  | 0.00022024 | 0.00022024 | 0.00022024 |   0.0 |  0.00
Modify  | 0.14738    | 0.14738    | 0.14738    |   0.0 |  1.14
Other   |            | 0.02339    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335966.0 ave      335966 max      335966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335966
Ave neighs/atom = 167.98300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -8384.1912   -8384.1912     -8471.73     -8471.73    338.78423    338.78423    23513.547    23513.547   -2129.8108   -2129.8108 
    5000    -8389.141    -8389.141   -8473.8068   -8473.8068    327.66535    327.66535    23462.439    23462.439    2239.9712    2239.9712 
Loop time of 12.6225 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.845 ns/day, 3.506 hours/ns, 79.224 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.417     | 12.417     | 12.417     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04181    | 0.04181    | 0.04181    |   0.0 |  0.33
Output  | 0.00010183 | 0.00010183 | 0.00010183 |   0.0 |  0.00
Modify  | 0.14179    | 0.14179    | 0.14179    |   0.0 |  1.12
Other   |            | 0.02195    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335980.0 ave      335980 max      335980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335980
Ave neighs/atom = 167.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 329.877946000413, Press = -12.9366797780272
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000    -8389.141    -8389.141   -8473.8068   -8473.8068    327.66535    327.66535    23462.439    23462.439    2239.9712    2239.9712 
    6000   -8386.4136   -8386.4136   -8471.7548   -8471.7548    330.27938    330.27938    23511.241    23511.241     -2165.93     -2165.93 
Loop time of 12.6107 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.851 ns/day, 3.503 hours/ns, 79.298 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.401     | 12.401     | 12.401     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041805   | 0.041805   | 0.041805   |   0.0 |  0.33
Output  | 9.429e-05  | 9.429e-05  | 9.429e-05  |   0.0 |  0.00
Modify  | 0.14509    | 0.14509    | 0.14509    |   0.0 |  1.15
Other   |            | 0.02223    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.287752907183, Press = -57.5100205897484
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -8386.4136   -8386.4136   -8471.7548   -8471.7548    330.27938    330.27938    23511.241    23511.241     -2165.93     -2165.93 
    7000   -8388.7238   -8388.7238   -8475.0266   -8475.0266    334.00099    334.00099    23474.438    23474.438     1241.356     1241.356 
Loop time of 12.7665 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.768 ns/day, 3.546 hours/ns, 78.330 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    | 12.552     | 12.552     | 12.552     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042076   | 0.042076   | 0.042076   |   0.0 |  0.33
Output  | 8.0605e-05 | 8.0605e-05 | 8.0605e-05 |   0.0 |  0.00
Modify  | 0.14994    | 0.14994    | 0.14994    |   0.0 |  1.17
Other   |            | 0.02276    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335972.0 ave      335972 max      335972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335972
Ave neighs/atom = 167.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 331.253312280165, Press = -28.7756628941421
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -8388.7238   -8388.7238   -8475.0266   -8475.0266    334.00099    334.00099    23474.438    23474.438     1241.356     1241.356 
    8000    -8384.955    -8384.955   -8472.6723   -8472.6723    339.47522    339.47522    23511.315    23511.315   -2709.1574   -2709.1574 
Loop time of 13.0226 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.635 ns/day, 3.617 hours/ns, 76.790 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    | 12.797     | 12.797     | 12.797     |   0.0 | 98.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044279   | 0.044279   | 0.044279   |   0.0 |  0.34
Output  | 7.449e-05  | 7.449e-05  | 7.449e-05  |   0.0 |  0.00
Modify  | 0.15676    | 0.15676    | 0.15676    |   0.0 |  1.20
Other   |            | 0.02486    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335952.0 ave      335952 max      335952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335952
Ave neighs/atom = 167.97600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 330.954213770041, Press = -6.29670401252349
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000    -8384.955    -8384.955   -8472.6723   -8472.6723    339.47522    339.47522    23511.315    23511.315   -2709.1574   -2709.1574 
    9000   -8389.8786   -8389.8786   -8474.9562   -8474.9562    329.25889    329.25889    23455.872    23455.872    3296.2485    3296.2485 
Loop time of 12.7725 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.765 ns/day, 3.548 hours/ns, 78.293 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    | 12.554     | 12.554     | 12.554     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042803   | 0.042803   | 0.042803   |   0.0 |  0.34
Output  | 0.00020507 | 0.00020507 | 0.00020507 |   0.0 |  0.00
Modify  | 0.15107    | 0.15107    | 0.15107    |   0.0 |  1.18
Other   |            | 0.02394    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335964.0 ave      335964 max      335964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335964
Ave neighs/atom = 167.98200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 331.237186542165, Press = -13.234225868849
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -8389.8786   -8389.8786   -8474.9562   -8474.9562    329.25889    329.25889    23455.872    23455.872    3296.2485    3296.2485 
   10000   -8385.7177   -8385.7177   -8473.9905   -8473.9905    341.62477    341.62477    23508.309    23508.309   -2148.7121   -2148.7121 
Loop time of 12.7424 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.780 ns/day, 3.540 hours/ns, 78.478 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.527     | 12.527     | 12.527     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04253    | 0.04253    | 0.04253    |   0.0 |  0.33
Output  | 8.3509e-05 | 8.3509e-05 | 8.3509e-05 |   0.0 |  0.00
Modify  | 0.14948    | 0.14948    | 0.14948    |   0.0 |  1.17
Other   |            | 0.02289    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335972.0 ave      335972 max      335972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335972
Ave neighs/atom = 167.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 330.919164599646, Press = 2.48759882640073
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -8385.7177   -8385.7177   -8473.9905   -8473.9905    341.62477    341.62477    23508.309    23508.309   -2148.7121   -2148.7121 
   11000   -8388.7793   -8388.7793   -8473.1339   -8473.1339    326.46128    326.46128    23463.973    23463.973    1728.3798    1728.3798 
Loop time of 12.5705 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.873 ns/day, 3.492 hours/ns, 79.551 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.363     | 12.363     | 12.363     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041274   | 0.041274   | 0.041274   |   0.0 |  0.33
Output  | 8.1214e-05 | 8.1214e-05 | 8.1214e-05 |   0.0 |  0.00
Modify  | 0.14443    | 0.14443    | 0.14443    |   0.0 |  1.15
Other   |            | 0.02172    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335964.0 ave      335964 max      335964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335964
Ave neighs/atom = 167.98200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 331.42467746922, Press = -16.2100298557243
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -8388.7793   -8388.7793   -8473.1339   -8473.1339    326.46128    326.46128    23463.973    23463.973    1728.3798    1728.3798 
   12000   -8384.0707   -8384.0707   -8471.5955   -8471.5955    338.73011    338.73011    23485.303    23485.303   -270.55741   -270.55741 
Loop time of 12.745 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.779 ns/day, 3.540 hours/ns, 78.462 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    | 12.53      | 12.53      | 12.53      |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042297   | 0.042297   | 0.042297   |   0.0 |  0.33
Output  | 0.0001077  | 0.0001077  | 0.0001077  |   0.0 |  0.00
Modify  | 0.14964    | 0.14964    | 0.14964    |   0.0 |  1.17
Other   |            | 0.02247    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335980.0 ave      335980 max      335980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335980
Ave neighs/atom = 167.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.097621308223, Press = 3.94506587616301
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -8384.0707   -8384.0707   -8471.5955   -8471.5955    338.73011    338.73011    23485.303    23485.303   -270.55741   -270.55741 
   13000   -8385.4356   -8385.4356   -8472.1102   -8472.1102     335.4394     335.4394    23484.872    23484.872    6.6678369    6.6678369 
Loop time of 12.7097 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.798 ns/day, 3.530 hours/ns, 78.680 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    | 12.497     | 12.497     | 12.497     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042136   | 0.042136   | 0.042136   |   0.0 |  0.33
Output  | 8.716e-05  | 8.716e-05  | 8.716e-05  |   0.0 |  0.00
Modify  | 0.1486     | 0.1486     | 0.1486     |   0.0 |  1.17
Other   |            | 0.02234    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335962.0 ave      335962 max      335962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335962
Ave neighs/atom = 167.98100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.415364575197, Press = -1.41288400242613
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -8385.4356   -8385.4356   -8472.1102   -8472.1102     335.4394     335.4394    23484.872    23484.872    6.6678369    6.6678369 
   14000   -8388.7008   -8388.7008   -8475.1197   -8475.1197    334.45006    334.45006    23479.018    23479.018    1134.1482    1134.1482 
Loop time of 12.9551 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.669 ns/day, 3.599 hours/ns, 77.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.734     | 12.734     | 12.734     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043555   | 0.043555   | 0.043555   |   0.0 |  0.34
Output  | 8.7109e-05 | 8.7109e-05 | 8.7109e-05 |   0.0 |  0.00
Modify  | 0.15405    | 0.15405    | 0.15405    |   0.0 |  1.19
Other   |            | 0.02368    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335958.0 ave      335958 max      335958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335958
Ave neighs/atom = 167.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.772758278597, Press = -1.84683658386402
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -8388.7008   -8388.7008   -8475.1197   -8475.1197    334.45006    334.45006    23479.018    23479.018    1134.1482    1134.1482 
   15000   -8386.0638   -8386.0638   -8473.8223   -8473.8223    339.63459    339.63459    23475.088    23475.088    1258.6868    1258.6868 
Loop time of 12.9813 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.656 ns/day, 3.606 hours/ns, 77.034 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.76      | 12.76      | 12.76      |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04331    | 0.04331    | 0.04331    |   0.0 |  0.33
Output  | 6.168e-05  | 6.168e-05  | 6.168e-05  |   0.0 |  0.00
Modify  | 0.15497    | 0.15497    | 0.15497    |   0.0 |  1.19
Other   |            | 0.02335    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.739236250434, Press = -11.6466316990174
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -8386.0638   -8386.0638   -8473.8223   -8473.8223    339.63459    339.63459    23475.088    23475.088    1258.6868    1258.6868 
   16000   -8389.6872   -8389.6872   -8471.4418   -8471.4418    316.39884    316.39884    23531.268    23531.268   -4024.2502   -4024.2502 
Loop time of 12.8069 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.746 ns/day, 3.557 hours/ns, 78.083 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.592     | 12.592     | 12.592     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04227    | 0.04227    | 0.04227    |   0.0 |  0.33
Output  | 8.3023e-05 | 8.3023e-05 | 8.3023e-05 |   0.0 |  0.00
Modify  | 0.14994    | 0.14994    | 0.14994    |   0.0 |  1.17
Other   |            | 0.02273    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.438874083752, Press = 5.1270558732883
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -8389.6872   -8389.6872   -8471.4418   -8471.4418    316.39884    316.39884    23531.268    23531.268   -4024.2502   -4024.2502 
   17000   -8386.1082   -8386.1082   -8473.0889   -8473.0889    336.62441    336.62441    23434.624    23434.624    4341.4874    4341.4874 
Loop time of 12.6976 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.804 ns/day, 3.527 hours/ns, 78.755 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.484     | 12.484     | 12.484     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042166   | 0.042166   | 0.042166   |   0.0 |  0.33
Output  | 7.9551e-05 | 7.9551e-05 | 7.9551e-05 |   0.0 |  0.00
Modify  | 0.14864    | 0.14864    | 0.14864    |   0.0 |  1.17
Other   |            | 0.02247    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.351660659027, Press = -6.46120074269846
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -8386.1082   -8386.1082   -8473.0889   -8473.0889    336.62441    336.62441    23434.624    23434.624    4341.4874    4341.4874 
   18000   -8387.2915   -8387.2915   -8475.5607   -8475.5607    341.61104    341.61104    23498.917    23498.917   -1221.7579   -1221.7579 
Loop time of 12.5685 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.874 ns/day, 3.491 hours/ns, 79.564 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.36      | 12.36      | 12.36      |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041427   | 0.041427   | 0.041427   |   0.0 |  0.33
Output  | 0.00019575 | 0.00019575 | 0.00019575 |   0.0 |  0.00
Modify  | 0.1446     | 0.1446     | 0.1446     |   0.0 |  1.15
Other   |            | 0.02181    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335976.0 ave      335976 max      335976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335976
Ave neighs/atom = 167.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.217719248213, Press = -2.43738093275722
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -8387.2915   -8387.2915   -8475.5607   -8475.5607    341.61104    341.61104    23498.917    23498.917   -1221.7579   -1221.7579 
   19000   -8388.3436   -8388.3436   -8473.5553   -8473.5553    329.77807    329.77807    23472.631    23472.631    974.36039    974.36039 
Loop time of 13.1223 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.584 ns/day, 3.645 hours/ns, 76.206 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    | 12.891     | 12.891     | 12.891     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04553    | 0.04553    | 0.04553    |   0.0 |  0.35
Output  | 7.9111e-05 | 7.9111e-05 | 7.9111e-05 |   0.0 |  0.00
Modify  | 0.15938    | 0.15938    | 0.15938    |   0.0 |  1.21
Other   |            | 0.02588    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335982.0 ave      335982 max      335982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335982
Ave neighs/atom = 167.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.278805575668, Press = 3.96311671133031
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -8388.3436   -8388.3436   -8473.5553   -8473.5553    329.77807    329.77807    23472.631    23472.631    974.36039    974.36039 
   20000   -8384.0038   -8384.0038   -8473.0632   -8473.0632    344.66936    344.66936    23496.053    23496.053   -912.08811   -912.08811 
Loop time of 12.6589 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.825 ns/day, 3.516 hours/ns, 78.996 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    | 12.448     | 12.448     | 12.448     |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04183    | 0.04183    | 0.04183    |   0.0 |  0.33
Output  | 0.00023853 | 0.00023853 | 0.00023853 |   0.0 |  0.00
Modify  | 0.14646    | 0.14646    | 0.14646    |   0.0 |  1.16
Other   |            | 0.02261    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335968.0 ave      335968 max      335968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335968
Ave neighs/atom = 167.98400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.339293427118, Press = -4.88405858136292
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -8384.0038   -8384.0038   -8473.0632   -8473.0632    344.66936    344.66936    23496.053    23496.053   -912.08811   -912.08811 
   21000   -8387.5303   -8387.5303   -8472.6313   -8472.6313    329.34978    329.34978    23506.065    23506.065   -1828.4488   -1828.4488 
Loop time of 12.511 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.906 ns/day, 3.475 hours/ns, 79.929 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.306     | 12.306     | 12.306     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040998   | 0.040998   | 0.040998   |   0.0 |  0.33
Output  | 8.9618e-05 | 8.9618e-05 | 8.9618e-05 |   0.0 |  0.00
Modify  | 0.14264    | 0.14264    | 0.14264    |   0.0 |  1.14
Other   |            | 0.02153    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335962.0 ave      335962 max      335962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335962
Ave neighs/atom = 167.98100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.414968852098, Press = -0.650425618375963
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -8387.5303   -8387.5303   -8472.6313   -8472.6313    329.34978    329.34978    23506.065    23506.065   -1828.4488   -1828.4488 
   22000   -8387.0423   -8387.0423   -8476.7983   -8476.7983    347.36495    347.36495    23446.186    23446.186    3667.4598    3667.4598 
Loop time of 12.5105 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.906 ns/day, 3.475 hours/ns, 79.933 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.306     | 12.306     | 12.306     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040986   | 0.040986   | 0.040986   |   0.0 |  0.33
Output  | 9.0004e-05 | 9.0004e-05 | 9.0004e-05 |   0.0 |  0.00
Modify  | 0.14206    | 0.14206    | 0.14206    |   0.0 |  1.14
Other   |            | 0.02153    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335950.0 ave      335950 max      335950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335950
Ave neighs/atom = 167.97500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.639394012263, Press = -3.92338023395108
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -8387.0423   -8387.0423   -8476.7983   -8476.7983    347.36495    347.36495    23446.186    23446.186    3667.4598    3667.4598 
   23000   -8383.5044   -8383.5044   -8470.5779   -8470.5779    336.98346    336.98346    23498.231    23498.231    -611.3373    -611.3373 
Loop time of 13.0523 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.620 ns/day, 3.626 hours/ns, 76.615 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.826     | 12.826     | 12.826     |   0.0 | 98.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044662   | 0.044662   | 0.044662   |   0.0 |  0.34
Output  | 8.7527e-05 | 8.7527e-05 | 8.7527e-05 |   0.0 |  0.00
Modify  | 0.15679    | 0.15679    | 0.15679    |   0.0 |  1.20
Other   |            | 0.02517    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.700265046705, Press = -2.72746925198253
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -8383.5044   -8383.5044   -8470.5779   -8470.5779    336.98346    336.98346    23498.231    23498.231    -611.3373    -611.3373 
   24000   -8387.6109   -8387.6109   -8474.8781   -8474.8781      337.733      337.733     23511.03     23511.03     -2745.99     -2745.99 
Loop time of 12.8508 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.723 ns/day, 3.570 hours/ns, 77.816 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.632     | 12.632     | 12.632     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042979   | 0.042979   | 0.042979   |   0.0 |  0.33
Output  | 9.0301e-05 | 9.0301e-05 | 9.0301e-05 |   0.0 |  0.00
Modify  | 0.1519     | 0.1519     | 0.1519     |   0.0 |  1.18
Other   |            | 0.02347    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335944.0 ave      335944 max      335944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335944
Ave neighs/atom = 167.97200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.636879389263, Press = -0.0151183717540526
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -8387.6109   -8387.6109   -8474.8781   -8474.8781      337.733      337.733     23511.03     23511.03     -2745.99     -2745.99 
   25000    -8388.905    -8388.905   -8474.1074   -8474.1074    329.74204    329.74204    23447.569    23447.569     3724.094     3724.094 
Loop time of 12.6728 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.818 ns/day, 3.520 hours/ns, 78.909 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    | 12.461     | 12.461     | 12.461     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042065   | 0.042065   | 0.042065   |   0.0 |  0.33
Output  | 9.0371e-05 | 9.0371e-05 | 9.0371e-05 |   0.0 |  0.00
Modify  | 0.14751    | 0.14751    | 0.14751    |   0.0 |  1.16
Other   |            | 0.02262    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.641472078227, Press = -3.87914536127118
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000    -8388.905    -8388.905   -8474.1074   -8474.1074    329.74204    329.74204    23447.569    23447.569     3724.094     3724.094 
   26000    -8386.811    -8386.811   -8472.8514   -8472.8514    332.98523    332.98523    23500.846    23500.846   -1698.3674   -1698.3674 
Loop time of 12.4287 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.952 ns/day, 3.452 hours/ns, 80.459 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    | 12.228     | 12.228     | 12.228     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040152   | 0.040152   | 0.040152   |   0.0 |  0.32
Output  | 8.3757e-05 | 8.3757e-05 | 8.3757e-05 |   0.0 |  0.00
Modify  | 0.13884    | 0.13884    | 0.13884    |   0.0 |  1.12
Other   |            | 0.02135    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.504801106014, Press = 1.4047049208909
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000    -8386.811    -8386.811   -8472.8514   -8472.8514    332.98523    332.98523    23500.846    23500.846   -1698.3674   -1698.3674 
   27000   -8385.8776   -8385.8776   -8471.3789   -8471.3789    330.89882    330.89882     23490.24     23490.24   -60.688241   -60.688241 
Loop time of 12.4192 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.957 ns/day, 3.450 hours/ns, 80.520 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.22      | 12.22      | 12.22      |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040151   | 0.040151   | 0.040151   |   0.0 |  0.32
Output  | 8.317e-05  | 8.317e-05  | 8.317e-05  |   0.0 |  0.00
Modify  | 0.13853    | 0.13853    | 0.13853    |   0.0 |  1.12
Other   |            | 0.0209     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335956.0 ave      335956 max      335956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335956
Ave neighs/atom = 167.97800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.44494839223, Press = -2.1878458557789
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -8385.8776   -8385.8776   -8471.3789   -8471.3789    330.89882    330.89882     23490.24     23490.24   -60.688241   -60.688241 
   28000   -8382.9587   -8382.9587   -8469.9645   -8469.9645    336.72144    336.72144    23486.861    23486.861   -577.66231   -577.66231 
Loop time of 12.4349 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.948 ns/day, 3.454 hours/ns, 80.419 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.235     | 12.235     | 12.235     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040078   | 0.040078   | 0.040078   |   0.0 |  0.32
Output  | 8.226e-05  | 8.226e-05  | 8.226e-05  |   0.0 |  0.00
Modify  | 0.13866    | 0.13866    | 0.13866    |   0.0 |  1.12
Other   |            | 0.02081    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335954.0 ave      335954 max      335954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335954
Ave neighs/atom = 167.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.430728564525, Press = -1.8341806394652
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -8382.9587   -8382.9587   -8469.9645   -8469.9645    336.72144    336.72144    23486.861    23486.861   -577.66231   -577.66231 
   29000   -8387.0925   -8387.0925   -8473.4169   -8473.4169    334.08407    334.08407    23477.456    23477.456    1016.3719    1016.3719 
Loop time of 12.5427 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.888 ns/day, 3.484 hours/ns, 79.728 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.339     | 12.339     | 12.339     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04065    | 0.04065    | 0.04065    |   0.0 |  0.32
Output  | 6.2381e-05 | 6.2381e-05 | 6.2381e-05 |   0.0 |  0.00
Modify  | 0.14131    | 0.14131    | 0.14131    |   0.0 |  1.13
Other   |            | 0.02116    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.538043748083, Press = 1.39339422229069
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -8387.0925   -8387.0925   -8473.4169   -8473.4169    334.08407    334.08407    23477.456    23477.456    1016.3719    1016.3719 
   30000   -8382.8328   -8382.8328   -8470.1714   -8470.1714    338.00967    338.00967    23511.796    23511.796   -1923.6853   -1923.6853 
Loop time of 12.4106 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.962 ns/day, 3.447 hours/ns, 80.576 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.211     | 12.211     | 12.211     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040029   | 0.040029   | 0.040029   |   0.0 |  0.32
Output  | 8.4358e-05 | 8.4358e-05 | 8.4358e-05 |   0.0 |  0.00
Modify  | 0.13854    | 0.13854    | 0.13854    |   0.0 |  1.12
Other   |            | 0.0208     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335982.0 ave      335982 max      335982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335982
Ave neighs/atom = 167.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.666878821005, Press = -4.51609599153686
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -8382.8328   -8382.8328   -8470.1714   -8470.1714    338.00967    338.00967    23511.796    23511.796   -1923.6853   -1923.6853 
   31000   -8387.2094   -8387.2094   -8473.4234   -8473.4234     333.6571     333.6571    23457.502    23457.502    2888.9429    2888.9429 
Loop time of 12.4237 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.954 ns/day, 3.451 hours/ns, 80.491 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.224     | 12.224     | 12.224     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040018   | 0.040018   | 0.040018   |   0.0 |  0.32
Output  | 6.3125e-05 | 6.3125e-05 | 6.3125e-05 |   0.0 |  0.00
Modify  | 0.13864    | 0.13864    | 0.13864    |   0.0 |  1.12
Other   |            | 0.02083    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335958.0 ave      335958 max      335958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335958
Ave neighs/atom = 167.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.707769752921, Press = 2.12060350880005
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -8387.2094   -8387.2094   -8473.4234   -8473.4234     333.6571     333.6571    23457.502    23457.502    2888.9429    2888.9429 
   32000   -8382.1758   -8382.1758   -8472.7668   -8472.7668    350.59654    350.59654    23486.441    23486.441    247.72854    247.72854 
Loop time of 12.4315 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.950 ns/day, 3.453 hours/ns, 80.441 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.232     | 12.232     | 12.232     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040131   | 0.040131   | 0.040131   |   0.0 |  0.32
Output  | 8.4887e-05 | 8.4887e-05 | 8.4887e-05 |   0.0 |  0.00
Modify  | 0.13867    | 0.13867    | 0.13867    |   0.0 |  1.12
Other   |            | 0.02083    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335974.0 ave      335974 max      335974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335974
Ave neighs/atom = 167.98700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.825879219109, Press = -1.69007402861992
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -8382.1758   -8382.1758   -8472.7668   -8472.7668    350.59654    350.59654    23486.441    23486.441    247.72854    247.72854 
   33000    -8387.327    -8387.327   -8472.9502   -8472.9502    331.37057    331.37057    23483.224    23483.224    254.42443    254.42443 
Loop time of 12.4041 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.965 ns/day, 3.446 hours/ns, 80.619 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.205     | 12.205     | 12.205     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04011    | 0.04011    | 0.04011    |   0.0 |  0.32
Output  | 6.0904e-05 | 6.0904e-05 | 6.0904e-05 |   0.0 |  0.00
Modify  | 0.1386     | 0.1386     | 0.1386     |   0.0 |  1.12
Other   |            | 0.02081    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335974.0 ave      335974 max      335974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335974
Ave neighs/atom = 167.98700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.887289397511, Press = -3.72323995539844
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000    -8387.327    -8387.327   -8472.9502   -8472.9502    331.37057    331.37057    23483.224    23483.224    254.42443    254.42443 
   34000   -8388.7998   -8388.7998   -8476.2932   -8476.2932    338.60859    338.60859    23496.679    23496.679   -1251.9575   -1251.9575 
Loop time of 12.4692 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.929 ns/day, 3.464 hours/ns, 80.198 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.268     | 12.268     | 12.268     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040495   | 0.040495   | 0.040495   |   0.0 |  0.32
Output  | 6.7797e-05 | 6.7797e-05 | 6.7797e-05 |   0.0 |  0.00
Modify  | 0.13963    | 0.13963    | 0.13963    |   0.0 |  1.12
Other   |            | 0.02107    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.981741747857, Press = 3.34264578001279
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -8388.7998   -8388.7998   -8476.2932   -8476.2932    338.60859    338.60859    23496.679    23496.679   -1251.9575   -1251.9575 
   35000   -8385.8997   -8385.8997   -8471.0933   -8471.0933    329.70799    329.70799    23462.925    23462.925    2518.8935    2518.8935 
Loop time of 12.4016 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.967 ns/day, 3.445 hours/ns, 80.635 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.202     | 12.202     | 12.202     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040086   | 0.040086   | 0.040086   |   0.0 |  0.32
Output  | 6.0106e-05 | 6.0106e-05 | 6.0106e-05 |   0.0 |  0.00
Modify  | 0.13841    | 0.13841    | 0.13841    |   0.0 |  1.12
Other   |            | 0.02081    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335976.0 ave      335976 max      335976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335976
Ave neighs/atom = 167.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.950324921656, Press = -4.31660722381351
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -8385.8997   -8385.8997   -8471.0933   -8471.0933    329.70799    329.70799    23462.925    23462.925    2518.8935    2518.8935 
   36000   -8390.8859   -8390.8859   -8473.2292   -8473.2292    318.67731    318.67731    23486.404    23486.404   -1079.8169   -1079.8169 
Loop time of 12.4377 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.947 ns/day, 3.455 hours/ns, 80.401 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.238     | 12.238     | 12.238     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040178   | 0.040178   | 0.040178   |   0.0 |  0.32
Output  | 8.3901e-05 | 8.3901e-05 | 8.3901e-05 |   0.0 |  0.00
Modify  | 0.1384     | 0.1384     | 0.1384     |   0.0 |  1.11
Other   |            | 0.02082    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335958.0 ave      335958 max      335958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335958
Ave neighs/atom = 167.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.863846048283, Press = 1.53554236582974
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -8390.8859   -8390.8859   -8473.2292   -8473.2292    318.67731    318.67731    23486.404    23486.404   -1079.8169   -1079.8169 
   37000   -8384.9548   -8384.9548   -8469.7702   -8469.7702     328.2445     328.2445    23487.777    23487.777   -453.01333   -453.01333 
Loop time of 12.4013 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.967 ns/day, 3.445 hours/ns, 80.637 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.202     | 12.202     | 12.202     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040139   | 0.040139   | 0.040139   |   0.0 |  0.32
Output  | 7.6072e-05 | 7.6072e-05 | 7.6072e-05 |   0.0 |  0.00
Modify  | 0.13831    | 0.13831    | 0.13831    |   0.0 |  1.12
Other   |            | 0.02086    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335960.0 ave      335960 max      335960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335960
Ave neighs/atom = 167.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.831541012816, Press = -2.02863568195159
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -8384.9548   -8384.9548   -8469.7702   -8469.7702     328.2445     328.2445    23487.777    23487.777   -453.01333   -453.01333 
   38000   -8388.5426   -8388.5426   -8472.7444   -8472.7444    325.86966    325.86966    23466.427    23466.427    1053.8758    1053.8758 
Loop time of 12.424 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.954 ns/day, 3.451 hours/ns, 80.490 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.224     | 12.224     | 12.224     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040157   | 0.040157   | 0.040157   |   0.0 |  0.32
Output  | 6.2365e-05 | 6.2365e-05 | 6.2365e-05 |   0.0 |  0.00
Modify  | 0.13844    | 0.13844    | 0.13844    |   0.0 |  1.11
Other   |            | 0.02088    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.752316600525, Press = 1.26679611879537
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -8388.5426   -8388.5426   -8472.7444   -8472.7444    325.86966    325.86966    23466.427    23466.427    1053.8758    1053.8758 
   39000   -8385.0365   -8385.0365   -8471.6717   -8471.6717    335.28718    335.28718    23499.738    23499.738   -1471.9292   -1471.9292 
Loop time of 12.4108 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.962 ns/day, 3.447 hours/ns, 80.575 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.211     | 12.211     | 12.211     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040251   | 0.040251   | 0.040251   |   0.0 |  0.32
Output  | 6.33e-05   | 6.33e-05   | 6.33e-05   |   0.0 |  0.00
Modify  | 0.13842    | 0.13842    | 0.13842    |   0.0 |  1.12
Other   |            | 0.02082    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335974.0 ave      335974 max      335974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335974
Ave neighs/atom = 167.98700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.687230665351, Press = -1.82088084351054
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -8385.0365   -8385.0365   -8471.6717   -8471.6717    335.28718    335.28718    23499.738    23499.738   -1471.9292   -1471.9292 
   40000   -8388.4263   -8388.4263   -8474.9698   -8474.9698    334.93214    334.93214     23453.51     23453.51    2156.7297    2156.7297 
Loop time of 12.4226 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.955 ns/day, 3.451 hours/ns, 80.498 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.223     | 12.223     | 12.223     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040176   | 0.040176   | 0.040176   |   0.0 |  0.32
Output  | 6.158e-05  | 6.158e-05  | 6.158e-05  |   0.0 |  0.00
Modify  | 0.13882    | 0.13882    | 0.13882    |   0.0 |  1.12
Other   |            | 0.02082    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335964.0 ave      335964 max      335964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335964
Ave neighs/atom = 167.98200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.681064839774, Press = 1.59369270516372
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -8388.4263   -8388.4263   -8474.9698   -8474.9698    334.93214    334.93214     23453.51     23453.51    2156.7297    2156.7297 
   41000   -8385.5572   -8385.5572   -8470.7593   -8470.7593    329.74098    329.74098    23524.996    23524.996   -4272.5908   -4272.5908 
Loop time of 12.4338 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.949 ns/day, 3.454 hours/ns, 80.426 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.234     | 12.234     | 12.234     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040301   | 0.040301   | 0.040301   |   0.0 |  0.32
Output  | 8.4298e-05 | 8.4298e-05 | 8.4298e-05 |   0.0 |  0.00
Modify  | 0.13901    | 0.13901    | 0.13901    |   0.0 |  1.12
Other   |            | 0.02083    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335974.0 ave      335974 max      335974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335974
Ave neighs/atom = 167.98700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.628839438521, Press = -1.48013914456569
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -8385.5572   -8385.5572   -8470.7593   -8470.7593    329.74098    329.74098    23524.996    23524.996   -4272.5908   -4272.5908 
   42000   -8387.6808   -8387.6808   -8474.5429   -8474.5429    336.16534    336.16534    23461.905    23461.905    2308.6379    2308.6379 
Loop time of 12.4122 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.961 ns/day, 3.448 hours/ns, 80.566 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    | 12.213     | 12.213     | 12.213     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039963   | 0.039963   | 0.039963   |   0.0 |  0.32
Output  | 6.2388e-05 | 6.2388e-05 | 6.2388e-05 |   0.0 |  0.00
Modify  | 0.13812    | 0.13812    | 0.13812    |   0.0 |  1.11
Other   |            | 0.02074    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335962.0 ave      335962 max      335962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335962
Ave neighs/atom = 167.98100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.59702969397, Press = 0.836094573913569
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -8387.6808   -8387.6808   -8474.5429   -8474.5429    336.16534    336.16534    23461.905    23461.905    2308.6379    2308.6379 
   43000   -8383.8757   -8383.8757   -8471.6152   -8471.6152    339.56082    339.56082    23483.395    23483.395    216.39146    216.39146 
Loop time of 12.3955 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.970 ns/day, 3.443 hours/ns, 80.674 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.197     | 12.197     | 12.197     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039878   | 0.039878   | 0.039878   |   0.0 |  0.32
Output  | 6.2067e-05 | 6.2067e-05 | 6.2067e-05 |   0.0 |  0.00
Modify  | 0.13815    | 0.13815    | 0.13815    |   0.0 |  1.11
Other   |            | 0.02084    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.581479100742, Press = -2.34627908351013
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -8383.8757   -8383.8757   -8471.6152   -8471.6152    339.56082    339.56082    23483.395    23483.395    216.39146    216.39146 
   44000   -8387.0009   -8387.0009   -8473.1569   -8473.1569    333.43256    333.43256    23520.046    23520.046   -3415.7688   -3415.7688 
Loop time of 12.4162 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.959 ns/day, 3.449 hours/ns, 80.540 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.217     | 12.217     | 12.217     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040029   | 0.040029   | 0.040029   |   0.0 |  0.32
Output  | 6.2967e-05 | 6.2967e-05 | 6.2967e-05 |   0.0 |  0.00
Modify  | 0.13843    | 0.13843    | 0.13843    |   0.0 |  1.11
Other   |            | 0.02079    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335926.0 ave      335926 max      335926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335926
Ave neighs/atom = 167.96300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.602145150269, Press = 2.01912541352611
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -8387.0009   -8387.0009   -8473.1569   -8473.1569    333.43256    333.43256    23520.046    23520.046   -3415.7688   -3415.7688 
   45000    -8385.015    -8385.015    -8471.305    -8471.305      333.951      333.951    23468.376    23468.376    1963.0274    1963.0274 
Loop time of 12.4304 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.951 ns/day, 3.453 hours/ns, 80.448 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.231     | 12.231     | 12.231     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040191   | 0.040191   | 0.040191   |   0.0 |  0.32
Output  | 6.0738e-05 | 6.0738e-05 | 6.0738e-05 |   0.0 |  0.00
Modify  | 0.1382     | 0.1382     | 0.1382     |   0.0 |  1.11
Other   |            | 0.0208     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335960.0 ave      335960 max      335960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335960
Ave neighs/atom = 167.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.626452939787, Press = -0.78607882604359
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000    -8385.015    -8385.015    -8471.305    -8471.305      333.951      333.951    23468.376    23468.376    1963.0274    1963.0274 
   46000   -8387.7273   -8387.7273   -8474.3829   -8474.3829     335.3662     335.3662     23498.53     23498.53   -982.92578   -982.92578 
Loop time of 12.4158 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.959 ns/day, 3.449 hours/ns, 80.542 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.217     | 12.217     | 12.217     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039976   | 0.039976   | 0.039976   |   0.0 |  0.32
Output  | 8.316e-05  | 8.316e-05  | 8.316e-05  |   0.0 |  0.00
Modify  | 0.1383     | 0.1383     | 0.1383     |   0.0 |  1.11
Other   |            | 0.02083    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335962.0 ave      335962 max      335962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335962
Ave neighs/atom = 167.98100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.623528211593, Press = 0.154964137762288
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -8387.7273   -8387.7273   -8474.3829   -8474.3829     335.3662     335.3662     23498.53     23498.53   -982.92578   -982.92578 
   47000   -8384.3845   -8384.3845     -8469.73     -8469.73     330.2959     330.2959    23490.703    23490.703   -334.96173   -334.96173 
Loop time of 12.4251 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.954 ns/day, 3.451 hours/ns, 80.483 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    | 12.226     | 12.226     | 12.226     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040158   | 0.040158   | 0.040158   |   0.0 |  0.32
Output  | 6.2087e-05 | 6.2087e-05 | 6.2087e-05 |   0.0 |  0.00
Modify  | 0.13835    | 0.13835    | 0.13835    |   0.0 |  1.11
Other   |            | 0.02083    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335982.0 ave      335982 max      335982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335982
Ave neighs/atom = 167.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.673569378205, Press = -0.924696835642428
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -8384.3845   -8384.3845     -8469.73     -8469.73     330.2959     330.2959    23490.703    23490.703   -334.96173   -334.96173 
   48000   -8387.1359   -8387.1359   -8474.0293   -8474.0293    336.28657    336.28657    23473.056    23473.056    1189.1742    1189.1742 
Loop time of 12.4215 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.956 ns/day, 3.450 hours/ns, 80.506 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.222     | 12.222     | 12.222     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040137   | 0.040137   | 0.040137   |   0.0 |  0.32
Output  | 6.2905e-05 | 6.2905e-05 | 6.2905e-05 |   0.0 |  0.00
Modify  | 0.13843    | 0.13843    | 0.13843    |   0.0 |  1.11
Other   |            | 0.02082    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335950.0 ave      335950 max      335950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335950
Ave neighs/atom = 167.97500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.690533027375, Press = 0.752610593260103
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -8387.1359   -8387.1359   -8474.0293   -8474.0293    336.28657    336.28657    23473.056    23473.056    1189.1742    1189.1742 
   49000   -8382.9156   -8382.9156   -8470.7588   -8470.7588    339.96213    339.96213    23520.235    23520.235   -2922.1841   -2922.1841 
Loop time of 12.4153 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.959 ns/day, 3.449 hours/ns, 80.546 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.216     | 12.216     | 12.216     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040243   | 0.040243   | 0.040243   |   0.0 |  0.32
Output  | 6.173e-05  | 6.173e-05  | 6.173e-05  |   0.0 |  0.00
Modify  | 0.13829    | 0.13829    | 0.13829    |   0.0 |  1.11
Other   |            | 0.02085    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335976.0 ave      335976 max      335976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335976
Ave neighs/atom = 167.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.757829919851, Press = -0.449261112018783
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -8382.9156   -8382.9156   -8470.7588   -8470.7588    339.96213    339.96213    23520.235    23520.235   -2922.1841   -2922.1841 
   50000    -8387.296    -8387.296   -8471.8728   -8471.8728    327.32097    327.32097    23445.158    23445.158    3406.5872    3406.5872 
Loop time of 12.404 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.966 ns/day, 3.446 hours/ns, 80.619 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.205     | 12.205     | 12.205     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04007    | 0.04007    | 0.04007    |   0.0 |  0.32
Output  | 6.3153e-05 | 6.3153e-05 | 6.3153e-05 |   0.0 |  0.00
Modify  | 0.13842    | 0.13842    | 0.13842    |   0.0 |  1.12
Other   |            | 0.02088    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335958.0 ave      335958 max      335958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335958
Ave neighs/atom = 167.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.816426538042, Press = -1.23464948594709
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000    -8387.296    -8387.296   -8471.8728   -8471.8728    327.32097    327.32097    23445.158    23445.158    3406.5872    3406.5872 
   51000   -8384.5031   -8384.5031   -8472.5534   -8472.5534    340.76391    340.76391    23499.048    23499.048   -1282.2674   -1282.2674 
Loop time of 12.4043 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.965 ns/day, 3.446 hours/ns, 80.617 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.204     | 12.204     | 12.204     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040196   | 0.040196   | 0.040196   |   0.0 |  0.32
Output  | 8.1444e-05 | 8.1444e-05 | 8.1444e-05 |   0.0 |  0.00
Modify  | 0.13878    | 0.13878    | 0.13878    |   0.0 |  1.12
Other   |            | 0.0208     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335948.0 ave      335948 max      335948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335948
Ave neighs/atom = 167.97400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.866246160939, Press = 0.331094910520089
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -8384.5031   -8384.5031   -8472.5534   -8472.5534    340.76391    340.76391    23499.048    23499.048   -1282.2674   -1282.2674 
   52000    -8385.928    -8385.928    -8473.009    -8473.009    337.01237    337.01237    23493.826    23493.826   -653.12401   -653.12401 
Loop time of 12.4092 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.586 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.21      | 12.21      | 12.21      |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040016   | 0.040016   | 0.040016   |   0.0 |  0.32
Output  | 6.2709e-05 | 6.2709e-05 | 6.2709e-05 |   0.0 |  0.00
Modify  | 0.13852    | 0.13852    | 0.13852    |   0.0 |  1.12
Other   |            | 0.02071    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335958.0 ave      335958 max      335958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335958
Ave neighs/atom = 167.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.831878975033, Press = -1.27130149756808
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000    -8385.928    -8385.928    -8473.009    -8473.009    337.01237    337.01237    23493.826    23493.826   -653.12401   -653.12401 
   53000   -8387.7471   -8387.7471   -8472.9131   -8472.9131    329.60091    329.60091     23456.51     23456.51    2182.5114    2182.5114 
Loop time of 12.399 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.968 ns/day, 3.444 hours/ns, 80.652 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.199     | 12.199     | 12.199     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040134   | 0.040134   | 0.040134   |   0.0 |  0.32
Output  | 6.1737e-05 | 6.1737e-05 | 6.1737e-05 |   0.0 |  0.00
Modify  | 0.13862    | 0.13862    | 0.13862    |   0.0 |  1.12
Other   |            | 0.02077    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.812613703393, Press = 1.43828070918457
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -8387.7471   -8387.7471   -8472.9131   -8472.9131    329.60091    329.60091     23456.51     23456.51    2182.5114    2182.5114 
   54000   -8384.2888   -8384.2888   -8470.8396   -8470.8396    334.96063    334.96063    23537.716    23537.716   -4590.1872   -4590.1872 
Loop time of 12.4058 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.964 ns/day, 3.446 hours/ns, 80.607 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    | 12.206     | 12.206     | 12.206     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040145   | 0.040145   | 0.040145   |   0.0 |  0.32
Output  | 6.2304e-05 | 6.2304e-05 | 6.2304e-05 |   0.0 |  0.00
Modify  | 0.13842    | 0.13842    | 0.13842    |   0.0 |  1.12
Other   |            | 0.02073    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.818023517485, Press = -3.38260445035805
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -8384.2888   -8384.2888   -8470.8396   -8470.8396    334.96063    334.96063    23537.716    23537.716   -4590.1872   -4590.1872 
   55000   -8393.0839   -8393.0839   -8477.3117   -8477.3117    325.97018    325.97018    23481.415    23481.415     292.5142     292.5142 
Loop time of 12.3903 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.708 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.191     | 12.191     | 12.191     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039923   | 0.039923   | 0.039923   |   0.0 |  0.32
Output  | 8.3303e-05 | 8.3303e-05 | 8.3303e-05 |   0.0 |  0.00
Modify  | 0.13845    | 0.13845    | 0.13845    |   0.0 |  1.12
Other   |            | 0.02074    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335962.0 ave      335962 max      335962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335962
Ave neighs/atom = 167.98100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.796674888665, Press = 1.03959445434411
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -8393.0839   -8393.0839   -8477.3117   -8477.3117    325.97018    325.97018    23481.415    23481.415     292.5142     292.5142 
   56000   -8384.6714   -8384.6714   -8472.9181   -8472.9181     341.5239     341.5239    23509.584    23509.584   -2078.1023   -2078.1023 
Loop time of 12.4016 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.967 ns/day, 3.445 hours/ns, 80.635 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.203     | 12.203     | 12.203     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040034   | 0.040034   | 0.040034   |   0.0 |  0.32
Output  | 6.0387e-05 | 6.0387e-05 | 6.0387e-05 |   0.0 |  0.00
Modify  | 0.13808    | 0.13808    | 0.13808    |   0.0 |  1.11
Other   |            | 0.02071    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335980.0 ave      335980 max      335980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335980
Ave neighs/atom = 167.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.766533007008, Press = -1.27537259407933
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -8384.6714   -8384.6714   -8472.9181   -8472.9181     341.5239     341.5239    23509.584    23509.584   -2078.1023   -2078.1023 
   57000   -8386.6142   -8386.6142   -8473.2525   -8473.2525    335.29923    335.29923    23477.626    23477.626    1173.9585    1173.9585 
Loop time of 12.4078 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.595 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.209     | 12.209     | 12.209     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040046   | 0.040046   | 0.040046   |   0.0 |  0.32
Output  | 6.0915e-05 | 6.0915e-05 | 6.0915e-05 |   0.0 |  0.00
Modify  | 0.13834    | 0.13834    | 0.13834    |   0.0 |  1.11
Other   |            | 0.02078    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335976.0 ave      335976 max      335976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335976
Ave neighs/atom = 167.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.771152421719, Press = 0.751922548266633
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -8386.6142   -8386.6142   -8473.2525   -8473.2525    335.29923    335.29923    23477.626    23477.626    1173.9585    1173.9585 
   58000    -8383.951    -8383.951   -8472.2031   -8472.2031    341.54484    341.54484    23507.856    23507.856   -1766.0904   -1766.0904 
Loop time of 12.4187 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.957 ns/day, 3.450 hours/ns, 80.524 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.219     | 12.219     | 12.219     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039995   | 0.039995   | 0.039995   |   0.0 |  0.32
Output  | 6.2587e-05 | 6.2587e-05 | 6.2587e-05 |   0.0 |  0.00
Modify  | 0.13859    | 0.13859    | 0.13859    |   0.0 |  1.12
Other   |            | 0.02078    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335972.0 ave      335972 max      335972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335972
Ave neighs/atom = 167.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.827151967574, Press = 0.0157544310878327
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000    -8383.951    -8383.951   -8472.2031   -8472.2031    341.54484    341.54484    23507.856    23507.856   -1766.0904   -1766.0904 
   59000   -8387.4118   -8387.4118   -8474.5144   -8474.5144    337.09625    337.09625    23426.779    23426.779    5615.5584    5615.5584 
Loop time of 12.3909 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.705 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.192     | 12.192     | 12.192     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039987   | 0.039987   | 0.039987   |   0.0 |  0.32
Output  | 6.127e-05  | 6.127e-05  | 6.127e-05  |   0.0 |  0.00
Modify  | 0.13813    | 0.13813    | 0.13813    |   0.0 |  1.11
Other   |            | 0.02077    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335968.0 ave      335968 max      335968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335968
Ave neighs/atom = 167.98400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.871557935731, Press = -0.574123250504055
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -8387.4118   -8387.4118   -8474.5144   -8474.5144    337.09625    337.09625    23426.779    23426.779    5615.5584    5615.5584 
   60000   -8382.9882   -8382.9882   -8470.9208   -8470.9208    340.30824    340.30824    23539.052    23539.052    -4907.828    -4907.828 
Loop time of 12.3976 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.969 ns/day, 3.444 hours/ns, 80.661 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.198     | 12.198     | 12.198     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040012   | 0.040012   | 0.040012   |   0.0 |  0.32
Output  | 8.5215e-05 | 8.5215e-05 | 8.5215e-05 |   0.0 |  0.00
Modify  | 0.13841    | 0.13841    | 0.13841    |   0.0 |  1.12
Other   |            | 0.02079    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335980.0 ave      335980 max      335980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335980
Ave neighs/atom = 167.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.915042271025, Press = 0.218436615545708
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -8382.9882   -8382.9882   -8470.9208   -8470.9208    340.30824    340.30824    23539.052    23539.052    -4907.828    -4907.828 
   61000   -8387.8435   -8387.8435   -8472.4043   -8472.4043    327.25902    327.25902    23468.128    23468.128     1879.768     1879.768 
Loop time of 12.4109 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.962 ns/day, 3.447 hours/ns, 80.574 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.211     | 12.211     | 12.211     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040139   | 0.040139   | 0.040139   |   0.0 |  0.32
Output  | 6.2624e-05 | 6.2624e-05 | 6.2624e-05 |   0.0 |  0.00
Modify  | 0.13844    | 0.13844    | 0.13844    |   0.0 |  1.12
Other   |            | 0.02077    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335960.0 ave      335960 max      335960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335960
Ave neighs/atom = 167.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.92951371856, Press = -0.0655152791800147
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -8387.8435   -8387.8435   -8472.4043   -8472.4043    327.25902    327.25902    23468.128    23468.128     1879.768     1879.768 
   62000   -8386.1098   -8386.1098   -8473.4751   -8473.4751    338.11264    338.11264    23510.113    23510.113   -2584.0363   -2584.0363 
Loop time of 12.4138 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.960 ns/day, 3.448 hours/ns, 80.556 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.215     | 12.215     | 12.215     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039906   | 0.039906   | 0.039906   |   0.0 |  0.32
Output  | 6.4153e-05 | 6.4153e-05 | 6.4153e-05 |   0.0 |  0.00
Modify  | 0.13839    | 0.13839    | 0.13839    |   0.0 |  1.11
Other   |            | 0.02086    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335976.0 ave      335976 max      335976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335976
Ave neighs/atom = 167.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.93460452481, Press = 0.0331274937905498
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -8386.1098   -8386.1098   -8473.4751   -8473.4751    338.11264    338.11264    23510.113    23510.113   -2584.0363   -2584.0363 
   63000   -8390.7077   -8390.7077   -8475.0478   -8475.0478    326.40506    326.40506    23471.669    23471.669    591.66831    591.66831 
Loop time of 12.3924 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.972 ns/day, 3.442 hours/ns, 80.694 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.194     | 12.194     | 12.194     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039936   | 0.039936   | 0.039936   |   0.0 |  0.32
Output  | 6.5207e-05 | 6.5207e-05 | 6.5207e-05 |   0.0 |  0.00
Modify  | 0.13807    | 0.13807    | 0.13807    |   0.0 |  1.11
Other   |            | 0.02067    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335968.0 ave      335968 max      335968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335968
Ave neighs/atom = 167.98400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.896007354775, Press = 0.250963964767593
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -8390.7077   -8390.7077   -8475.0478   -8475.0478    326.40506    326.40506    23471.669    23471.669    591.66831    591.66831 
   64000   -8384.0763   -8384.0763   -8470.0459   -8470.0459    332.71118    332.71118    23536.843    23536.843   -4329.5844   -4329.5844 
Loop time of 12.416 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.959 ns/day, 3.449 hours/ns, 80.541 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.218     | 12.218     | 12.218     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040086   | 0.040086   | 0.040086   |   0.0 |  0.32
Output  | 5.9865e-05 | 5.9865e-05 | 5.9865e-05 |   0.0 |  0.00
Modify  | 0.13777    | 0.13777    | 0.13777    |   0.0 |  1.11
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335972.0 ave      335972 max      335972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335972
Ave neighs/atom = 167.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.889825919851, Press = -0.90918720136546
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -8384.0763   -8384.0763   -8470.0459   -8470.0459    332.71118    332.71118    23536.843    23536.843   -4329.5844   -4329.5844 
   65000   -8387.9685   -8387.9685   -8474.6016   -8474.6016    335.27884    335.27884    23427.108    23427.108    5137.3507    5137.3507 
Loop time of 12.4191 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.957 ns/day, 3.450 hours/ns, 80.521 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.221     | 12.221     | 12.221     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040122   | 0.040122   | 0.040122   |   0.0 |  0.32
Output  | 7.9837e-05 | 7.9837e-05 | 7.9837e-05 |   0.0 |  0.00
Modify  | 0.13775    | 0.13775    | 0.13775    |   0.0 |  1.11
Other   |            | 0.02064    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335954.0 ave      335954 max      335954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335954
Ave neighs/atom = 167.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.898197044727, Press = 1.27166000151466
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -8387.9685   -8387.9685   -8474.6016   -8474.6016    335.27884    335.27884    23427.108    23427.108    5137.3507    5137.3507 
   66000   -8385.0889   -8385.0889    -8471.377    -8471.377    333.94409    333.94409    23492.178    23492.178    -580.9372    -580.9372 
Loop time of 12.3888 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.974 ns/day, 3.441 hours/ns, 80.718 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    | 12.19      | 12.19      | 12.19      |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039986   | 0.039986   | 0.039986   |   0.0 |  0.32
Output  | 6.0867e-05 | 6.0867e-05 | 6.0867e-05 |   0.0 |  0.00
Modify  | 0.13784    | 0.13784    | 0.13784    |   0.0 |  1.11
Other   |            | 0.02063    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.883652539015, Press = -0.942156015162425
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -8385.0889   -8385.0889    -8471.377    -8471.377    333.94409    333.94409    23492.178    23492.178    -580.9372    -580.9372 
   67000   -8387.4627   -8387.4627   -8474.6536   -8474.6536    337.43763    337.43763    23485.172    23485.172   -240.94624   -240.94624 
Loop time of 12.4017 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.967 ns/day, 3.445 hours/ns, 80.634 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.203     | 12.203     | 12.203     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04011    | 0.04011    | 0.04011    |   0.0 |  0.32
Output  | 6.1515e-05 | 6.1515e-05 | 6.1515e-05 |   0.0 |  0.00
Modify  | 0.13783    | 0.13783    | 0.13783    |   0.0 |  1.11
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335964.0 ave      335964 max      335964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335964
Ave neighs/atom = 167.98200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.866023758693, Press = 0.196548141694161
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -8387.4627   -8387.4627   -8474.6536   -8474.6536    337.43763    337.43763    23485.172    23485.172   -240.94624   -240.94624 
   68000   -8387.2557   -8387.2557   -8473.2843   -8473.2843     332.9397     332.9397    23469.271    23469.271    1015.4749    1015.4749 
Loop time of 12.3857 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.976 ns/day, 3.440 hours/ns, 80.738 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.187     | 12.187     | 12.187     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039963   | 0.039963   | 0.039963   |   0.0 |  0.32
Output  | 6.0248e-05 | 6.0248e-05 | 6.0248e-05 |   0.0 |  0.00
Modify  | 0.1376     | 0.1376     | 0.1376     |   0.0 |  1.11
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335976.0 ave      335976 max      335976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335976
Ave neighs/atom = 167.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.819030746446, Press = -0.334477106259775
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -8387.2557   -8387.2557   -8473.2843   -8473.2843     332.9397     332.9397    23469.271    23469.271    1015.4749    1015.4749 
   69000   -8389.2214   -8389.2214   -8475.0694   -8475.0694    332.24043    332.24043    23491.261    23491.261   -1049.9853   -1049.9853 
Loop time of 12.3851 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.976 ns/day, 3.440 hours/ns, 80.742 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    | 12.187     | 12.187     | 12.187     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039918   | 0.039918   | 0.039918   |   0.0 |  0.32
Output  | 5.9043e-05 | 5.9043e-05 | 5.9043e-05 |   0.0 |  0.00
Modify  | 0.13765    | 0.13765    | 0.13765    |   0.0 |  1.11
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335976.0 ave      335976 max      335976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335976
Ave neighs/atom = 167.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.81500764527, Press = -0.321698322823985
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -8389.2214   -8389.2214   -8475.0694   -8475.0694    332.24043    332.24043    23491.261    23491.261   -1049.9853   -1049.9853 
   70000   -8381.1644   -8381.1644   -8471.1777   -8471.1777    348.36095    348.36095    23483.485    23483.485    776.13258    776.13258 
Loop time of 12.3956 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.970 ns/day, 3.443 hours/ns, 80.674 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.197     | 12.197     | 12.197     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040001   | 0.040001   | 0.040001   |   0.0 |  0.32
Output  | 8.1006e-05 | 8.1006e-05 | 8.1006e-05 |   0.0 |  0.00
Modify  | 0.13781    | 0.13781    | 0.13781    |   0.0 |  1.11
Other   |            | 0.02061    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335960.0 ave      335960 max      335960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335960
Ave neighs/atom = 167.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.859305132225, Press = 0.19090819666743
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -8381.1644   -8381.1644   -8471.1777   -8471.1777    348.36095    348.36095    23483.485    23483.485    776.13258    776.13258 
   71000   -8387.7592   -8387.7592   -8471.9357   -8471.9357    325.77185    325.77185    23502.471    23502.471   -1347.3187   -1347.3187 
Loop time of 12.3945 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.971 ns/day, 3.443 hours/ns, 80.681 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.196     | 12.196     | 12.196     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039825   | 0.039825   | 0.039825   |   0.0 |  0.32
Output  | 6.1148e-05 | 6.1148e-05 | 6.1148e-05 |   0.0 |  0.00
Modify  | 0.13792    | 0.13792    | 0.13792    |   0.0 |  1.11
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881131811769, Press = -0.25914640161362
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -8387.7592   -8387.7592   -8471.9357   -8471.9357    325.77185    325.77185    23502.471    23502.471   -1347.3187   -1347.3187 
   72000    -8384.119    -8384.119   -8471.5453   -8471.5453    338.34847    338.34847    23477.082    23477.082    289.77516    289.77516 
Loop time of 12.3893 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.974 ns/day, 3.441 hours/ns, 80.715 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    | 12.191     | 12.191     | 12.191     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039949   | 0.039949   | 0.039949   |   0.0 |  0.32
Output  | 6.0912e-05 | 6.0912e-05 | 6.0912e-05 |   0.0 |  0.00
Modify  | 0.13772    | 0.13772    | 0.13772    |   0.0 |  1.11
Other   |            | 0.02068    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335952.0 ave      335952 max      335952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335952
Ave neighs/atom = 167.97600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.916954216802, Press = -0.776934350291602
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000    -8384.119    -8384.119   -8471.5453   -8471.5453    338.34847    338.34847    23477.082    23477.082    289.77516    289.77516 
   73000   -8387.8899   -8387.8899   -8471.2144   -8471.2144    322.47453    322.47453    23457.464    23457.464     2854.358     2854.358 
Loop time of 12.3973 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.969 ns/day, 3.444 hours/ns, 80.663 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.199     | 12.199     | 12.199     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039976   | 0.039976   | 0.039976   |   0.0 |  0.32
Output  | 5.963e-05  | 5.963e-05  | 5.963e-05  |   0.0 |  0.00
Modify  | 0.1376     | 0.1376     | 0.1376     |   0.0 |  1.11
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335982.0 ave      335982 max      335982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335982
Ave neighs/atom = 167.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.90575961069, Press = 1.03886060606213
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -8387.8899   -8387.8899   -8471.2144   -8471.2144    322.47453    322.47453    23457.464    23457.464     2854.358     2854.358 
   74000   -8385.6494   -8385.6494   -8472.1326   -8472.1326    334.69901    334.69901    23526.058    23526.058   -3914.9303   -3914.9303 
Loop time of 12.3932 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.972 ns/day, 3.443 hours/ns, 80.690 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.195     | 12.195     | 12.195     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040019   | 0.040019   | 0.040019   |   0.0 |  0.32
Output  | 5.9867e-05 | 5.9867e-05 | 5.9867e-05 |   0.0 |  0.00
Modify  | 0.13763    | 0.13763    | 0.13763    |   0.0 |  1.11
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335968.0 ave      335968 max      335968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335968
Ave neighs/atom = 167.98400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.887256045476, Press = -1.08821312364234
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -8385.6494   -8385.6494   -8472.1326   -8472.1326    334.69901    334.69901    23526.058    23526.058   -3914.9303   -3914.9303 
   75000   -8387.3309   -8387.3309   -8472.0323   -8472.0323    327.80332    327.80332    23463.907    23463.907    1861.2897    1861.2897 
Loop time of 12.3962 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.970 ns/day, 3.443 hours/ns, 80.670 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.198     | 12.198     | 12.198     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040053   | 0.040053   | 0.040053   |   0.0 |  0.32
Output  | 8.0016e-05 | 8.0016e-05 | 8.0016e-05 |   0.0 |  0.00
Modify  | 0.13761    | 0.13761    | 0.13761    |   0.0 |  1.11
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335946.0 ave      335946 max      335946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335946
Ave neighs/atom = 167.97300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.841930258965, Press = 0.361324701127434
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -8387.3309   -8387.3309   -8472.0323   -8472.0323    327.80332    327.80332    23463.907    23463.907    1861.2897    1861.2897 
   76000   -8385.4723   -8385.4723   -8472.8813   -8472.8813    338.28161    338.28161     23501.98     23501.98   -1072.7718   -1072.7718 
Loop time of 12.3914 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.701 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.193     | 12.193     | 12.193     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039971   | 0.039971   | 0.039971   |   0.0 |  0.32
Output  | 5.709e-05  | 5.709e-05  | 5.709e-05  |   0.0 |  0.00
Modify  | 0.13783    | 0.13783    | 0.13783    |   0.0 |  1.11
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335972.0 ave      335972 max      335972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335972
Ave neighs/atom = 167.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.850744485294, Press = 0.474650935578748
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -8385.4723   -8385.4723   -8472.8813   -8472.8813    338.28161    338.28161     23501.98     23501.98   -1072.7718   -1072.7718 
   77000   -8387.1566   -8387.1566   -8472.6083   -8472.6083    330.70693    330.70693    23479.192    23479.192    488.66861    488.66861 
Loop time of 12.3843 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.977 ns/day, 3.440 hours/ns, 80.747 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.186     | 12.186     | 12.186     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040011   | 0.040011   | 0.040011   |   0.0 |  0.32
Output  | 6.1287e-05 | 6.1287e-05 | 6.1287e-05 |   0.0 |  0.00
Modify  | 0.13786    | 0.13786    | 0.13786    |   0.0 |  1.11
Other   |            | 0.02065    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335948.0 ave      335948 max      335948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335948
Ave neighs/atom = 167.97400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.869058496175, Press = -0.52190391463862
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -8387.1566   -8387.1566   -8472.6083   -8472.6083    330.70693    330.70693    23479.192    23479.192    488.66861    488.66861 
   78000   -8382.8043   -8382.8043   -8468.7733   -8468.7733    332.70921    332.70921    23476.776    23476.776    825.46297    825.46297 
Loop time of 12.3847 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.976 ns/day, 3.440 hours/ns, 80.745 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.186     | 12.186     | 12.186     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03996    | 0.03996    | 0.03996    |   0.0 |  0.32
Output  | 5.9089e-05 | 5.9089e-05 | 5.9089e-05 |   0.0 |  0.00
Modify  | 0.13778    | 0.13778    | 0.13778    |   0.0 |  1.11
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335958.0 ave      335958 max      335958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335958
Ave neighs/atom = 167.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.912791743915, Press = 0.39673664713036
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -8382.8043   -8382.8043   -8468.7733   -8468.7733    332.70921    332.70921    23476.776    23476.776    825.46297    825.46297 
   79000   -8385.7048   -8385.7048   -8475.0996   -8475.0996    345.96706    345.96706    23497.219    23497.219   -1149.0916   -1149.0916 
Loop time of 12.3813 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.978 ns/day, 3.439 hours/ns, 80.767 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.183     | 12.183     | 12.183     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039944   | 0.039944   | 0.039944   |   0.0 |  0.32
Output  | 5.9825e-05 | 5.9825e-05 | 5.9825e-05 |   0.0 |  0.00
Modify  | 0.13765    | 0.13765    | 0.13765    |   0.0 |  1.11
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.916632304234, Press = -0.680393421430104
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -8385.7048   -8385.7048   -8475.0996   -8475.0996    345.96706    345.96706    23497.219    23497.219   -1149.0916   -1149.0916 
   80000   -8386.4744   -8386.4744   -8473.0789   -8473.0789    335.16822    335.16822    23461.444    23461.444    2310.9298    2310.9298 
Loop time of 12.3833 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.977 ns/day, 3.440 hours/ns, 80.754 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.185     | 12.185     | 12.185     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039997   | 0.039997   | 0.039997   |   0.0 |  0.32
Output  | 8.0169e-05 | 8.0169e-05 | 8.0169e-05 |   0.0 |  0.00
Modify  | 0.13762    | 0.13762    | 0.13762    |   0.0 |  1.11
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.921227777088, Press = 0.142329275176722
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -8386.4744   -8386.4744   -8473.0789   -8473.0789    335.16822    335.16822    23461.444    23461.444    2310.9298    2310.9298 
   81000   -8387.3468   -8387.3468   -8472.5426   -8472.5426    329.71647    329.71647     23505.66     23505.66    -2197.562    -2197.562 
Loop time of 12.4018 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.967 ns/day, 3.445 hours/ns, 80.633 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.204     | 12.204     | 12.204     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039939   | 0.039939   | 0.039939   |   0.0 |  0.32
Output  | 5.6407e-05 | 5.6407e-05 | 5.6407e-05 |   0.0 |  0.00
Modify  | 0.1377     | 0.1377     | 0.1377     |   0.0 |  1.11
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335982.0 ave      335982 max      335982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335982
Ave neighs/atom = 167.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.879845093013, Press = -0.126640872170492
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -8387.3468   -8387.3468   -8472.5426   -8472.5426    329.71647    329.71647     23505.66     23505.66    -2197.562    -2197.562 
   82000   -8389.1404   -8389.1404   -8474.0168   -8474.0168    328.48045    328.48045    23456.207    23456.207    2539.0886    2539.0886 
Loop time of 12.3909 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.704 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.193     | 12.193     | 12.193     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039956   | 0.039956   | 0.039956   |   0.0 |  0.32
Output  | 5.6868e-05 | 5.6868e-05 | 5.6868e-05 |   0.0 |  0.00
Modify  | 0.1375     | 0.1375     | 0.1375     |   0.0 |  1.11
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335972.0 ave      335972 max      335972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335972
Ave neighs/atom = 167.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.871776514819, Press = 0.435132948668781
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -8389.1404   -8389.1404   -8474.0168   -8474.0168    328.48045    328.48045    23456.207    23456.207    2539.0886    2539.0886 
   83000   -8384.9964   -8384.9964    -8473.741    -8473.741    343.45101    343.45101    23522.384    23522.384   -3402.2364   -3402.2364 
Loop time of 12.3958 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.970 ns/day, 3.443 hours/ns, 80.672 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.197     | 12.197     | 12.197     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040087   | 0.040087   | 0.040087   |   0.0 |  0.32
Output  | 5.7999e-05 | 5.7999e-05 | 5.7999e-05 |   0.0 |  0.00
Modify  | 0.13772    | 0.13772    | 0.13772    |   0.0 |  1.11
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335972.0 ave      335972 max      335972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335972
Ave neighs/atom = 167.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.830574953369, Press = -1.13471369527605
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -8384.9964   -8384.9964    -8473.741    -8473.741    343.45101    343.45101    23522.384    23522.384   -3402.2364   -3402.2364 
   84000    -8387.822    -8387.822   -8472.9213   -8472.9213    329.34285    329.34285    23454.536    23454.536    3189.5888    3189.5888 
Loop time of 12.3863 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.975 ns/day, 3.441 hours/ns, 80.734 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.188     | 12.188     | 12.188     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040064   | 0.040064   | 0.040064   |   0.0 |  0.32
Output  | 8.1748e-05 | 8.1748e-05 | 8.1748e-05 |   0.0 |  0.00
Modify  | 0.13759    | 0.13759    | 0.13759    |   0.0 |  1.11
Other   |            | 0.02061    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335958.0 ave      335958 max      335958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335958
Ave neighs/atom = 167.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.835166031934, Press = 0.3976082142346
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000    -8387.822    -8387.822   -8472.9213   -8472.9213    329.34285    329.34285    23454.536    23454.536    3189.5888    3189.5888 
   85000   -8389.0034   -8389.0034   -8476.8138   -8476.8138     339.8353     339.8353      23486.7      23486.7    297.67648    297.67648 
Loop time of 12.408 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.593 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.21      | 12.21      | 12.21      |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039965   | 0.039965   | 0.039965   |   0.0 |  0.32
Output  | 5.7803e-05 | 5.7803e-05 | 5.7803e-05 |   0.0 |  0.00
Modify  | 0.13756    | 0.13756    | 0.13756    |   0.0 |  1.11
Other   |            | 0.02061    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335956.0 ave      335956 max      335956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335956
Ave neighs/atom = 167.97800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.847034789734, Press = -0.339730712220037
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -8389.0034   -8389.0034   -8476.8138   -8476.8138     339.8353     339.8353      23486.7      23486.7    297.67648    297.67648 
   86000   -8386.0728   -8386.0728    -8471.155    -8471.155    329.27705    329.27705    23502.385    23502.385   -776.79659   -776.79659 
Loop time of 12.4024 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.966 ns/day, 3.445 hours/ns, 80.630 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.204     | 12.204     | 12.204     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040113   | 0.040113   | 0.040113   |   0.0 |  0.32
Output  | 6.0959e-05 | 6.0959e-05 | 6.0959e-05 |   0.0 |  0.00
Modify  | 0.13763    | 0.13763    | 0.13763    |   0.0 |  1.11
Other   |            | 0.02064    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.853305967892, Press = -0.290117080546787
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -8386.0728   -8386.0728    -8471.155    -8471.155    329.27705    329.27705    23502.385    23502.385   -776.79659   -776.79659 
   87000   -8387.8142   -8387.8142   -8473.4769   -8473.4769    331.52347    331.52347    23483.258    23483.258   -240.92563   -240.92563 
Loop time of 12.3907 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.705 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.192     | 12.192     | 12.192     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040081   | 0.040081   | 0.040081   |   0.0 |  0.32
Output  | 5.6117e-05 | 5.6117e-05 | 5.6117e-05 |   0.0 |  0.00
Modify  | 0.13763    | 0.13763    | 0.13763    |   0.0 |  1.11
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335972.0 ave      335972 max      335972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335972
Ave neighs/atom = 167.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874621018103, Press = 0.177469534375586
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -8387.8142   -8387.8142   -8473.4769   -8473.4769    331.52347    331.52347    23483.258    23483.258   -240.92563   -240.92563 
   88000   -8386.3957   -8386.3957   -8472.9031   -8472.9031     334.7925     334.7925     23479.06     23479.06    1005.5666    1005.5666 
Loop time of 12.4188 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.957 ns/day, 3.450 hours/ns, 80.523 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    | 12.22      | 12.22      | 12.22      |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040001   | 0.040001   | 0.040001   |   0.0 |  0.32
Output  | 5.8776e-05 | 5.8776e-05 | 5.8776e-05 |   0.0 |  0.00
Modify  | 0.13773    | 0.13773    | 0.13773    |   0.0 |  1.11
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335962.0 ave      335962 max      335962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335962
Ave neighs/atom = 167.98100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.917478146559, Press = -0.471477714243938
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -8386.3957   -8386.3957   -8472.9031   -8472.9031     334.7925     334.7925     23479.06     23479.06    1005.5666    1005.5666 
   89000   -8384.1654   -8384.1654   -8470.6258   -8470.6258    334.61065    334.61065    23508.966    23508.966   -1893.3272   -1893.3272 
Loop time of 12.3929 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.972 ns/day, 3.442 hours/ns, 80.692 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.194     | 12.194     | 12.194     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040028   | 0.040028   | 0.040028   |   0.0 |  0.32
Output  | 6.9701e-05 | 6.9701e-05 | 6.9701e-05 |   0.0 |  0.00
Modify  | 0.13795    | 0.13795    | 0.13795    |   0.0 |  1.11
Other   |            | 0.02061    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.928879461012, Press = 1.13350440699943
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -8384.1654   -8384.1654   -8470.6258   -8470.6258    334.61065    334.61065    23508.966    23508.966   -1893.3272   -1893.3272 
   90000   -8388.8919   -8388.8919   -8473.6931   -8473.6931    328.18924    328.18924     23461.48     23461.48    1968.7997    1968.7997 
Loop time of 12.3911 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.703 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.193     | 12.193     | 12.193     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04011    | 0.04011    | 0.04011    |   0.0 |  0.32
Output  | 5.183e-05  | 5.183e-05  | 5.183e-05  |   0.0 |  0.00
Modify  | 0.13771    | 0.13771    | 0.13771    |   0.0 |  1.11
Other   |            | 0.02061    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335962.0 ave      335962 max      335962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335962
Ave neighs/atom = 167.98100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.948093172199, Press = -0.686509204927259
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -8388.8919   -8388.8919   -8473.6931   -8473.6931    328.18924    328.18924     23461.48     23461.48    1968.7997    1968.7997 
   91000   -8385.1033   -8385.1033   -8471.4221   -8471.4221    334.06274    334.06274    23492.103    23492.103   -434.50455   -434.50455 
Loop time of 12.4018 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.967 ns/day, 3.445 hours/ns, 80.633 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.204     | 12.204     | 12.204     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039971   | 0.039971   | 0.039971   |   0.0 |  0.32
Output  | 5.0422e-05 | 5.0422e-05 | 5.0422e-05 |   0.0 |  0.00
Modify  | 0.13769    | 0.13769    | 0.13769    |   0.0 |  1.11
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335976.0 ave      335976 max      335976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335976
Ave neighs/atom = 167.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.937643480231, Press = 0.0768854080613144
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -8385.1033   -8385.1033   -8471.4221   -8471.4221    334.06274    334.06274    23492.103    23492.103   -434.50455   -434.50455 
   92000   -8390.3905   -8390.3905   -8475.8378   -8475.8378    330.68983    330.68983    23508.311    23508.311   -1984.0905   -1984.0905 
Loop time of 12.391 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.703 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.193     | 12.193     | 12.193     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040178   | 0.040178   | 0.040178   |   0.0 |  0.32
Output  | 5.2362e-05 | 5.2362e-05 | 5.2362e-05 |   0.0 |  0.00
Modify  | 0.13766    | 0.13766    | 0.13766    |   0.0 |  1.11
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335962.0 ave      335962 max      335962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335962
Ave neighs/atom = 167.98100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.927287147324, Press = -0.256419971087882
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -8390.3905   -8390.3905   -8475.8378   -8475.8378    330.68983    330.68983    23508.311    23508.311   -1984.0905   -1984.0905 
   93000   -8385.7397   -8385.7397    -8472.476    -8472.476    335.67828    335.67828    23459.872    23459.872     2353.583     2353.583 
Loop time of 12.3969 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.969 ns/day, 3.444 hours/ns, 80.665 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.198     | 12.198     | 12.198     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039916   | 0.039916   | 0.039916   |   0.0 |  0.32
Output  | 4.9866e-05 | 4.9866e-05 | 4.9866e-05 |   0.0 |  0.00
Modify  | 0.1378     | 0.1378     | 0.1378     |   0.0 |  1.11
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.906038179501, Press = -0.0537478521815248
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -8385.7397   -8385.7397    -8472.476    -8472.476    335.67828    335.67828    23459.872    23459.872     2353.583     2353.583 
   94000   -8388.9634   -8388.9634   -8473.7911   -8473.7911    328.29178    328.29178    23508.254    23508.254   -2604.5445   -2604.5445 
Loop time of 12.4078 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.594 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.209     | 12.209     | 12.209     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040121   | 0.040121   | 0.040121   |   0.0 |  0.32
Output  | 6.9626e-05 | 6.9626e-05 | 6.9626e-05 |   0.0 |  0.00
Modify  | 0.13784    | 0.13784    | 0.13784    |   0.0 |  1.11
Other   |            | 0.02073    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.904198471673, Press = -0.173000705893657
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -8388.9634   -8388.9634   -8473.7911   -8473.7911    328.29178    328.29178    23508.254    23508.254   -2604.5445   -2604.5445 
   95000   -8385.6008   -8385.6008   -8472.3086   -8472.3086    335.56802    335.56802    23468.638    23468.638    1769.9593    1769.9593 
Loop time of 12.4072 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.964 ns/day, 3.446 hours/ns, 80.599 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    | 12.209     | 12.209     | 12.209     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039948   | 0.039948   | 0.039948   |   0.0 |  0.32
Output  | 5.0909e-05 | 5.0909e-05 | 5.0909e-05 |   0.0 |  0.00
Modify  | 0.1379     | 0.1379     | 0.1379     |   0.0 |  1.11
Other   |            | 0.02063    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.889777954044, Press = -0.28701930626637
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -8385.6008   -8385.6008   -8472.3086   -8472.3086    335.56802    335.56802    23468.638    23468.638    1769.9593    1769.9593 
   96000   -8389.5467   -8389.5467   -8474.4148   -8474.4148    328.44858    328.44858    23461.365    23461.365    1579.7185    1579.7185 
Loop time of 12.3917 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.972 ns/day, 3.442 hours/ns, 80.699 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.193     | 12.193     | 12.193     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040109   | 0.040109   | 0.040109   |   0.0 |  0.32
Output  | 7.6047e-05 | 7.6047e-05 | 7.6047e-05 |   0.0 |  0.00
Modify  | 0.13789    | 0.13789    | 0.13789    |   0.0 |  1.11
Other   |            | 0.02065    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.863624269067, Press = 0.296118466195676
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -8389.5467   -8389.5467   -8474.4148   -8474.4148    328.44858    328.44858    23461.365    23461.365    1579.7185    1579.7185 
   97000   -8383.7597   -8383.7597   -8471.1712   -8471.1712    338.29186    338.29186    23520.207    23520.207   -3502.1069   -3502.1069 
Loop time of 12.4017 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.967 ns/day, 3.445 hours/ns, 80.634 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.203     | 12.203     | 12.203     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04023    | 0.04023    | 0.04023    |   0.0 |  0.32
Output  | 6.0379e-05 | 6.0379e-05 | 6.0379e-05 |   0.0 |  0.00
Modify  | 0.13804    | 0.13804    | 0.13804    |   0.0 |  1.11
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335974.0 ave      335974 max      335974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335974
Ave neighs/atom = 167.98700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.864801172499, Press = 0.232044527128876
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000   -8383.7597   -8383.7597   -8471.1712   -8471.1712    338.29186    338.29186    23520.207    23520.207   -3502.1069   -3502.1069 
   98000   -8385.4508   -8385.4508   -8472.1312   -8472.1312     335.4623     335.4623    23431.033    23431.033    5686.9892    5686.9892 
Loop time of 12.3877 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.975 ns/day, 3.441 hours/ns, 80.725 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.189     | 12.189     | 12.189     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040059   | 0.040059   | 0.040059   |   0.0 |  0.32
Output  | 5.3963e-05 | 5.3963e-05 | 5.3963e-05 |   0.0 |  0.00
Modify  | 0.13783    | 0.13783    | 0.13783    |   0.0 |  1.11
Other   |            | 0.02061    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335954.0 ave      335954 max      335954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335954
Ave neighs/atom = 167.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.878783278436, Press = -1.1806963117509
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000   -8385.4508   -8385.4508   -8472.1312   -8472.1312     335.4623     335.4623    23431.033    23431.033    5686.9892    5686.9892 
   99000    -8382.948    -8382.948   -8471.4485   -8471.4485    342.50617    342.50617    23506.936    23506.936   -1062.8153   -1062.8153 
Loop time of 12.4083 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.591 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.21      | 12.21      | 12.21      |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039992   | 0.039992   | 0.039992   |   0.0 |  0.32
Output  | 6.7973e-05 | 6.7973e-05 | 6.7973e-05 |   0.0 |  0.00
Modify  | 0.13789    | 0.13789    | 0.13789    |   0.0 |  1.11
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.886182351262, Press = 0.800892942356991
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000    -8382.948    -8382.948   -8471.4485   -8471.4485    342.50617    342.50617    23506.936    23506.936   -1062.8153   -1062.8153 
  100000   -8387.8101   -8387.8101   -8473.1165   -8473.1165    330.14459    330.14459     23474.17     23474.17    985.16841    985.16841 
Loop time of 12.4094 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.962 ns/day, 3.447 hours/ns, 80.584 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.211     | 12.211     | 12.211     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03997    | 0.03997    | 0.03997    |   0.0 |  0.32
Output  | 5.6745e-05 | 5.6745e-05 | 5.6745e-05 |   0.0 |  0.00
Modify  | 0.13787    | 0.13787    | 0.13787    |   0.0 |  1.11
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335968.0 ave      335968 max      335968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335968
Ave neighs/atom = 167.98400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.917121623842, Press = -0.57102724059195
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000   -8387.8101   -8387.8101   -8473.1165   -8473.1165    330.14459    330.14459     23474.17     23474.17    985.16841    985.16841 
  101000   -8382.6326   -8382.6326    -8471.059    -8471.059    342.21928    342.21928    23511.942    23511.942   -2618.4557   -2618.4557 
Loop time of 12.3938 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.971 ns/day, 3.443 hours/ns, 80.685 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.195     | 12.195     | 12.195     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040119   | 0.040119   | 0.040119   |   0.0 |  0.32
Output  | 5.2239e-05 | 5.2239e-05 | 5.2239e-05 |   0.0 |  0.00
Modify  | 0.13791    | 0.13791    | 0.13791    |   0.0 |  1.11
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.943071990088, Press = 0.336996911207162
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -8382.6326   -8382.6326    -8471.059    -8471.059    342.21928    342.21928    23511.942    23511.942   -2618.4557   -2618.4557 
  102000   -8388.4296   -8388.4296   -8473.7268   -8473.7268    330.10908    330.10908    23455.203    23455.203    2351.6201    2351.6201 
Loop time of 12.3978 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.969 ns/day, 3.444 hours/ns, 80.659 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.199     | 12.199     | 12.199     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040018   | 0.040018   | 0.040018   |   0.0 |  0.32
Output  | 5.4076e-05 | 5.4076e-05 | 5.4076e-05 |   0.0 |  0.00
Modify  | 0.13776    | 0.13776    | 0.13776    |   0.0 |  1.11
Other   |            | 0.02063    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.957475009425, Press = -0.256039901099563
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -8388.4296   -8388.4296   -8473.7268   -8473.7268    330.10908    330.10908    23455.203    23455.203    2351.6201    2351.6201 
  103000   -8386.1949   -8386.1949   -8472.1014   -8472.1014    332.46701    332.46701    23499.483    23499.483   -1331.8395   -1331.8395 
Loop time of 12.4125 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.961 ns/day, 3.448 hours/ns, 80.564 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.214     | 12.214     | 12.214     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040061   | 0.040061   | 0.040061   |   0.0 |  0.32
Output  | 5.4358e-05 | 5.4358e-05 | 5.4358e-05 |   0.0 |  0.00
Modify  | 0.13785    | 0.13785    | 0.13785    |   0.0 |  1.11
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.939800725406, Press = 0.178707623309133
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  103000   -8386.1949   -8386.1949   -8472.1014   -8472.1014    332.46701    332.46701    23499.483    23499.483   -1331.8395   -1331.8395 
  104000   -8391.5671   -8391.5671   -8475.9019   -8475.9019    326.38435    326.38435    23472.547    23472.547    871.25457    871.25457 
Loop time of 12.4085 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.590 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.21      | 12.21      | 12.21      |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040197   | 0.040197   | 0.040197   |   0.0 |  0.32
Output  | 0.00019213 | 0.00019213 | 0.00019213 |   0.0 |  0.00
Modify  | 0.1378     | 0.1378     | 0.1378     |   0.0 |  1.11
Other   |            | 0.02068    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335954.0 ave      335954 max      335954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335954
Ave neighs/atom = 167.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.915418012336, Press = -0.259258645400247
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  104000   -8391.5671   -8391.5671   -8475.9019   -8475.9019    326.38435    326.38435    23472.547    23472.547    871.25457    871.25457 
  105000   -8385.6784   -8385.6784   -8474.6419   -8474.6419    344.29802    344.29802    23477.416    23477.416    648.54299    648.54299 
Loop time of 12.396 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.970 ns/day, 3.443 hours/ns, 80.671 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.198     | 12.198     | 12.198     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04009    | 0.04009    | 0.04009    |   0.0 |  0.32
Output  | 5.9234e-05 | 5.9234e-05 | 5.9234e-05 |   0.0 |  0.00
Modify  | 0.13768    | 0.13768    | 0.13768    |   0.0 |  1.11
Other   |            | 0.02066    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335970.0 ave      335970 max      335970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335970
Ave neighs/atom = 167.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.901653842499, Press = 0.145680586931813
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  105000   -8385.6784   -8385.6784   -8474.6419   -8474.6419    344.29802    344.29802    23477.416    23477.416    648.54299    648.54299 
  106000   -8390.3278   -8390.3278   -8473.2491   -8473.2491    320.91377    320.91377    23490.773    23490.773   -589.47703   -589.47703 
Loop time of 12.4006 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.967 ns/day, 3.445 hours/ns, 80.641 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.202     | 12.202     | 12.202     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040031   | 0.040031   | 0.040031   |   0.0 |  0.32
Output  | 6.1853e-05 | 6.1853e-05 | 6.1853e-05 |   0.0 |  0.00
Modify  | 0.13791    | 0.13791    | 0.13791    |   0.0 |  1.11
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335966.0 ave      335966 max      335966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335966
Ave neighs/atom = 167.98300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.87766396383, Press = -0.400056709199335
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  106000   -8390.3278   -8390.3278   -8473.2491   -8473.2491    320.91377    320.91377    23490.773    23490.773   -589.47703   -589.47703 
  107000   -8385.8057   -8385.8057   -8474.2593   -8474.2593    342.32464    342.32464    23468.213    23468.213     1178.663     1178.663 
Loop time of 12.3943 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.971 ns/day, 3.443 hours/ns, 80.682 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.196     | 12.196     | 12.196     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040103   | 0.040103   | 0.040103   |   0.0 |  0.32
Output  | 7.4072e-05 | 7.4072e-05 | 7.4072e-05 |   0.0 |  0.00
Modify  | 0.13773    | 0.13773    | 0.13773    |   0.0 |  1.11
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335960.0 ave      335960 max      335960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335960
Ave neighs/atom = 167.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.85148517565, Press = 0.546348705221945
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  107000   -8385.8057   -8385.8057   -8474.2593   -8474.2593    342.32464    342.32464    23468.213    23468.213     1178.663     1178.663 
  108000    -8389.324    -8389.324   -8474.5728   -8474.5728    329.92165    329.92165    23479.782    23479.782    399.29935    399.29935 
Loop time of 12.4021 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.967 ns/day, 3.445 hours/ns, 80.631 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.204     | 12.204     | 12.204     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040099   | 0.040099   | 0.040099   |   0.0 |  0.32
Output  | 7.0454e-05 | 7.0454e-05 | 7.0454e-05 |   0.0 |  0.00
Modify  | 0.13776    | 0.13776    | 0.13776    |   0.0 |  1.11
Other   |            | 0.02064    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335956.0 ave      335956 max      335956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335956
Ave neighs/atom = 167.97800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.842154591676, Press = -0.399165397135166
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  108000    -8389.324    -8389.324   -8474.5728   -8474.5728    329.92165    329.92165    23479.782    23479.782    399.29935    399.29935 
  109000   -8385.0083   -8385.0083   -8471.5637   -8471.5637    334.97836    334.97836    23516.162    23516.162   -2663.5641   -2663.5641 
Loop time of 12.4177 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.958 ns/day, 3.449 hours/ns, 80.530 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    | 12.216     | 12.216     | 12.216     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040092   | 0.040092   | 0.040092   |   0.0 |  0.32
Output  | 7.4086e-05 | 7.4086e-05 | 7.4086e-05 |   0.0 |  0.00
Modify  | 0.13866    | 0.13866    | 0.13866    |   0.0 |  1.12
Other   |            | 0.02249    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335972.0 ave      335972 max      335972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335972
Ave neighs/atom = 167.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.837994539497, Press = 0.453182788317215
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  109000   -8385.0083   -8385.0083   -8471.5637   -8471.5637    334.97836    334.97836    23516.162    23516.162   -2663.5641   -2663.5641 
  110000   -8385.0506   -8385.0506   -8470.9631   -8470.9631    332.49023    332.49023     23458.15     23458.15    2566.3566    2566.3566 
Loop time of 12.4258 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.953 ns/day, 3.452 hours/ns, 80.477 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.227     | 12.227     | 12.227     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040014   | 0.040014   | 0.040014   |   0.0 |  0.32
Output  | 7.7523e-05 | 7.7523e-05 | 7.7523e-05 |   0.0 |  0.00
Modify  | 0.13778    | 0.13778    | 0.13778    |   0.0 |  1.11
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335946.0 ave      335946 max      335946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335946
Ave neighs/atom = 167.97300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.848176921689, Press = 0.0478302954153947
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  110000   -8385.0506   -8385.0506   -8470.9631   -8470.9631    332.49023    332.49023     23458.15     23458.15    2566.3566    2566.3566 
  111000   -8386.9475   -8386.9475   -8471.6393   -8471.6393    327.76606    327.76606    23510.125    23510.125   -2557.1147   -2557.1147 
Loop time of 12.4077 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.595 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.209     | 12.209     | 12.209     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039877   | 0.039877   | 0.039877   |   0.0 |  0.32
Output  | 9.2099e-05 | 9.2099e-05 | 9.2099e-05 |   0.0 |  0.00
Modify  | 0.13801    | 0.13801    | 0.13801    |   0.0 |  1.11
Other   |            | 0.02061    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335958.0 ave      335958 max      335958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335958
Ave neighs/atom = 167.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882316847372, Press = -0.162677448130031
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  111000   -8386.9475   -8386.9475   -8471.6393   -8471.6393    327.76606    327.76606    23510.125    23510.125   -2557.1147   -2557.1147 
  112000   -8383.3756   -8383.3756   -8471.2622   -8471.2622    340.13045    340.13045    23443.687    23443.687    4021.3082    4021.3082 
Loop time of 12.4178 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.958 ns/day, 3.449 hours/ns, 80.530 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.219     | 12.219     | 12.219     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039896   | 0.039896   | 0.039896   |   0.0 |  0.32
Output  | 0.00015287 | 0.00015287 | 0.00015287 |   0.0 |  0.00
Modify  | 0.13807    | 0.13807    | 0.13807    |   0.0 |  1.11
Other   |            | 0.02076    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335960.0 ave      335960 max      335960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335960
Ave neighs/atom = 167.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.892821148071, Press = -0.597630701777823
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  112000   -8383.3756   -8383.3756   -8471.2622   -8471.2622    340.13045    340.13045    23443.687    23443.687    4021.3082    4021.3082 
  113000   -8389.4259   -8389.4259   -8475.5162   -8475.5162    333.17821    333.17821    23498.762    23498.762   -766.71503   -766.71503 
Loop time of 12.4023 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.966 ns/day, 3.445 hours/ns, 80.630 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    | 12.202     | 12.202     | 12.202     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039968   | 0.039968   | 0.039968   |   0.0 |  0.32
Output  | 8.5106e-05 | 8.5106e-05 | 8.5106e-05 |   0.0 |  0.00
Modify  | 0.13833    | 0.13833    | 0.13833    |   0.0 |  1.12
Other   |            | 0.02159    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335972.0 ave      335972 max      335972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335972
Ave neighs/atom = 167.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.922142492848, Press = -0.0519493292162196
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  113000   -8389.4259   -8389.4259   -8475.5162   -8475.5162    333.17821    333.17821    23498.762    23498.762   -766.71503   -766.71503 
  114000   -8385.9664   -8385.9664   -8473.0221   -8473.0221    336.91473    336.91473    23482.663    23482.663    683.23565    683.23565 
Loop time of 12.4105 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.962 ns/day, 3.447 hours/ns, 80.577 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.212     | 12.212     | 12.212     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039802   | 0.039802   | 0.039802   |   0.0 |  0.32
Output  | 5.9083e-05 | 5.9083e-05 | 5.9083e-05 |   0.0 |  0.00
Modify  | 0.13806    | 0.13806    | 0.13806    |   0.0 |  1.11
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335980.0 ave      335980 max      335980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335980
Ave neighs/atom = 167.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.922521641998, Press = 0.153225952468255
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  114000   -8385.9664   -8385.9664   -8473.0221   -8473.0221    336.91473    336.91473    23482.663    23482.663    683.23565    683.23565 
  115000   -8384.0977   -8384.0977   -8469.6844   -8469.6844    331.22952    331.22952    23493.772    23493.772   -460.81428   -460.81428 
Loop time of 12.3931 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.972 ns/day, 3.443 hours/ns, 80.690 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.195     | 12.195     | 12.195     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039788   | 0.039788   | 0.039788   |   0.0 |  0.32
Output  | 4.9673e-05 | 4.9673e-05 | 4.9673e-05 |   0.0 |  0.00
Modify  | 0.1381     | 0.1381     | 0.1381     |   0.0 |  1.11
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335958.0 ave      335958 max      335958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335958
Ave neighs/atom = 167.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.933587326568, Press = -0.223626239605521
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  115000   -8384.0977   -8384.0977   -8469.6844   -8469.6844    331.22952    331.22952    23493.772    23493.772   -460.81428   -460.81428 
  116000   -8388.3112   -8388.3112   -8471.0866   -8471.0866    320.34924    320.34924    23487.237    23487.237    206.40361    206.40361 
Loop time of 12.4085 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.590 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.21      | 12.21      | 12.21      |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03997    | 0.03997    | 0.03997    |   0.0 |  0.32
Output  | 6.9007e-05 | 6.9007e-05 | 6.9007e-05 |   0.0 |  0.00
Modify  | 0.1381     | 0.1381     | 0.1381     |   0.0 |  1.11
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335938.0 ave      335938 max      335938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335938
Ave neighs/atom = 167.96900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.959364519656, Press = 0.477477514247193
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  116000   -8388.3112   -8388.3112   -8471.0866   -8471.0866    320.34924    320.34924    23487.237    23487.237    206.40361    206.40361 
  117000    -8388.143    -8388.143   -8472.3601   -8472.3601    325.92895    325.92895    23489.152    23489.152    19.562223    19.562223 
Loop time of 12.4087 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.589 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.21      | 12.21      | 12.21      |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03997    | 0.03997    | 0.03997    |   0.0 |  0.32
Output  | 7.2753e-05 | 7.2753e-05 | 7.2753e-05 |   0.0 |  0.00
Modify  | 0.13812    | 0.13812    | 0.13812    |   0.0 |  1.11
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335960.0 ave      335960 max      335960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335960
Ave neighs/atom = 167.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.981238689446, Press = -0.767275995064797
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  117000    -8388.143    -8388.143   -8472.3601   -8472.3601    325.92895    325.92895    23489.152    23489.152    19.562223    19.562223 
  118000   -8390.7042   -8390.7042   -8475.3815   -8475.3815    327.70964    327.70964    23468.889    23468.889    2414.3519    2414.3519 
Loop time of 12.4077 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.595 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.209     | 12.209     | 12.209     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039931   | 0.039931   | 0.039931   |   0.0 |  0.32
Output  | 4.9901e-05 | 4.9901e-05 | 4.9901e-05 |   0.0 |  0.00
Modify  | 0.13798    | 0.13798    | 0.13798    |   0.0 |  1.11
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335974.0 ave      335974 max      335974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335974
Ave neighs/atom = 167.98700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.986868785346, Press = 0.742094593869411
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  118000   -8390.7042   -8390.7042   -8475.3815   -8475.3815    327.70964    327.70964    23468.889    23468.889    2414.3519    2414.3519 
  119000   -8385.7166   -8385.7166    -8474.413    -8474.413    343.26392    343.26392    23507.254    23507.254   -1865.0895   -1865.0895 
Loop time of 12.3989 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.968 ns/day, 3.444 hours/ns, 80.652 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.2       | 12.2       | 12.2       |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039916   | 0.039916   | 0.039916   |   0.0 |  0.32
Output  | 7.8552e-05 | 7.8552e-05 | 7.8552e-05 |   0.0 |  0.00
Modify  | 0.13812    | 0.13812    | 0.13812    |   0.0 |  1.11
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.962440702977, Press = -0.886573353580269
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  119000   -8385.7166   -8385.7166    -8474.413    -8474.413    343.26392    343.26392    23507.254    23507.254   -1865.0895   -1865.0895 
  120000   -8391.7421   -8391.7421   -8475.3561   -8475.3561    323.59494    323.59494    23490.084    23490.084   -478.57285   -478.57285 
Loop time of 12.39 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.710 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.191     | 12.191     | 12.191     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039864   | 0.039864   | 0.039864   |   0.0 |  0.32
Output  | 5.5723e-05 | 5.5723e-05 | 5.5723e-05 |   0.0 |  0.00
Modify  | 0.13822    | 0.13822    | 0.13822    |   0.0 |  1.12
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      335982.0 ave      335982 max      335982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335982
Ave neighs/atom = 167.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
23485.6379866666

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0