# 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 2.938573092222214*${_u_distance}
variable latticeconst_converted equal 2.938573092222214*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.93857309222221
Lattice spacing in x,y,z = 2.9385731 2.9385731 2.9385731
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 (29.385731 29.385731 29.385731)
  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 (29.385731 29.385731 29.385731)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 51.9961*${_u_mass}
variable mass_converted equal 51.9961*1

kim_interactions Cr

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

kim interactions Cr
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
pair_coeff * * Cr
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 51.9961

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 25375.2010949908    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 25375.2010949908/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 25375.2010949908/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 25375.2010949908/(1*1*${_u_distance})
variable      V0_metal equal 25375.2010949908/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 25375.2010949908*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 25375.2010949908 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 293.15*${_u_temperature}
variable temp_converted equal 293.15*1
variable Tdamp_converted equal 0.1*${_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 293.15 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 293.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 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  "293.15 - 0.2"
variable      T_up  equal  "293.15 + 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_677715648236_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 = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.196 | 4.196 | 4.196 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -6969.6732   -6969.6732   -7045.4205   -7045.4205       293.15       293.15    25375.201    25375.201    3188.4173    3188.4173 
    1000   -7069.3417   -7069.3417   -7144.8296   -7144.8296    292.14598    292.14598    24155.245    24155.245   -176.38519   -176.38519 
Loop time of 13.3168 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.488 ns/day, 3.699 hours/ns, 75.093 timesteps/s
96.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.999     | 12.999     | 12.999     |   0.0 | 97.61
Neigh   | 0.084699   | 0.084699   | 0.084699   |   0.0 |  0.64
Comm    | 0.046005   | 0.046005   | 0.046005   |   0.0 |  0.35
Output  | 0.00023226 | 0.00023226 | 0.00023226 |   0.0 |  0.00
Modify  | 0.1593     | 0.1593     | 0.1593     |   0.0 |  1.20
Other   |            | 0.02753    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5228.00 ave        5228 max        5228 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      306092.0 ave      306092 max      306092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 306092
Ave neighs/atom = 153.04600
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -7069.3417   -7069.3417   -7144.8296   -7144.8296    292.14598    292.14598    24155.245    24155.245   -176.38519   -176.38519 
    2000   -7120.8775   -7120.8775   -7197.0261   -7197.0261    294.70272    294.70272    23612.564    23612.564   -1908.6134   -1908.6134 
Loop time of 12.8762 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.710 ns/day, 3.577 hours/ns, 77.663 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.591     | 12.591     | 12.591     |   0.0 | 97.78
Neigh   | 0.082184   | 0.082184   | 0.082184   |   0.0 |  0.64
Comm    | 0.041668   | 0.041668   | 0.041668   |   0.0 |  0.32
Output  | 0.00013084 | 0.00013084 | 0.00013084 |   0.0 |  0.00
Modify  | 0.14039    | 0.14039    | 0.14039    |   0.0 |  1.09
Other   |            | 0.02097    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5160.00 ave        5160 max        5160 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      312418.0 ave      312418 max      312418 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312418
Ave neighs/atom = 156.20900
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -7120.8775   -7120.8775   -7197.0261   -7197.0261    294.70272    294.70272    23612.564    23612.564   -1908.6134   -1908.6134 
    3000   -7127.3029   -7127.3029   -7205.4542   -7205.4542    302.45328    302.45328     23523.48     23523.48    622.93376    622.93376 
Loop time of 12.7178 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.794 ns/day, 3.533 hours/ns, 78.630 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    | 12.475     | 12.475     | 12.475     |   0.0 | 98.09
Neigh   | 0.041212   | 0.041212   | 0.041212   |   0.0 |  0.32
Comm    | 0.040813   | 0.040813   | 0.040813   |   0.0 |  0.32
Output  | 0.00010892 | 0.00010892 | 0.00010892 |   0.0 |  0.00
Modify  | 0.13946    | 0.13946    | 0.13946    |   0.0 |  1.10
Other   |            | 0.02084    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5172.00 ave        5172 max        5172 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310914.0 ave      310914 max      310914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310914
Ave neighs/atom = 155.45700
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -7127.3029   -7127.3029   -7205.4542   -7205.4542    302.45328    302.45328     23523.48     23523.48    622.93376    622.93376 
    4000   -7132.8428   -7132.8428   -7207.9544   -7207.9544    290.68959    290.68959    23537.159    23537.159    2385.5842    2385.5842 
Loop time of 12.4816 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.922 ns/day, 3.467 hours/ns, 80.118 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.28      | 12.28      | 12.28      |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040154   | 0.040154   | 0.040154   |   0.0 |  0.32
Output  | 0.0001187  | 0.0001187  | 0.0001187  |   0.0 |  0.00
Modify  | 0.13903    | 0.13903    | 0.13903    |   0.0 |  1.11
Other   |            | 0.02203    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5167.00 ave        5167 max        5167 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311720.0 ave      311720 max      311720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311720
Ave neighs/atom = 155.86000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 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 = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -7132.8428   -7132.8428   -7207.9544   -7207.9544    290.68959    290.68959    23537.159    23537.159    2385.5842    2385.5842 
    5000   -7131.6386   -7131.6386   -7207.1895   -7207.1895    292.38997    292.38997    23560.894    23560.894    35.942291    35.942291 
Loop time of 12.5325 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.894 ns/day, 3.481 hours/ns, 79.793 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.328     | 12.328     | 12.328     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040145   | 0.040145   | 0.040145   |   0.0 |  0.32
Output  | 9.39e-05   | 9.39e-05   | 9.39e-05   |   0.0 |  0.00
Modify  | 0.14138    | 0.14138    | 0.14138    |   0.0 |  1.13
Other   |            | 0.02275    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310872.0 ave      310872 max      310872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310872
Ave neighs/atom = 155.43600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.142421106937, Press = -1066.95152191899
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -7131.6386   -7131.6386   -7207.1895   -7207.1895    292.38997    292.38997    23560.894    23560.894    35.942291    35.942291 
    6000   -7130.3098   -7130.3098   -7205.5699   -7205.5699    291.26438    291.26438    23539.513    23539.513    219.36987    219.36987 
Loop time of 12.655 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.827 ns/day, 3.515 hours/ns, 79.020 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.443     | 12.443     | 12.443     |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040909   | 0.040909   | 0.040909   |   0.0 |  0.32
Output  | 0.00017678 | 0.00017678 | 0.00017678 |   0.0 |  0.00
Modify  | 0.14816    | 0.14816    | 0.14816    |   0.0 |  1.17
Other   |            | 0.02254    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5152.00 ave        5152 max        5152 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310810.0 ave      310810 max      310810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310810
Ave neighs/atom = 155.40500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 290.915909739552, Press = 63.8790782463101
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -7130.3098   -7130.3098   -7205.5699   -7205.5699    291.26438    291.26438    23539.513    23539.513    219.36987    219.36987 
    7000   -7132.4382   -7132.4382   -7208.6245   -7208.6245    294.84914    294.84914    23538.632    23538.632    1454.5878    1454.5878 
Loop time of 12.5078 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.908 ns/day, 3.474 hours/ns, 79.950 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    | 12.302     | 12.302     | 12.302     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040258   | 0.040258   | 0.040258   |   0.0 |  0.32
Output  | 8.3308e-05 | 8.3308e-05 | 8.3308e-05 |   0.0 |  0.00
Modify  | 0.14453    | 0.14453    | 0.14453    |   0.0 |  1.16
Other   |            | 0.02101    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5179.00 ave        5179 max        5179 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311558.0 ave      311558 max      311558 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311558
Ave neighs/atom = 155.77900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.958169089492, Press = -51.0260841394066
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -7132.4382   -7132.4382   -7208.6245   -7208.6245    294.84914    294.84914    23538.632    23538.632    1454.5878    1454.5878 
    8000   -7128.8792   -7128.8792   -7205.2772   -7205.2772    295.66823    295.66823    23579.685    23579.685   -1998.6566   -1998.6566 
Loop time of 12.5027 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.910 ns/day, 3.473 hours/ns, 79.983 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.299     | 12.299     | 12.299     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039816   | 0.039816   | 0.039816   |   0.0 |  0.32
Output  | 8.8362e-05 | 8.8362e-05 | 8.8362e-05 |   0.0 |  0.00
Modify  | 0.14347    | 0.14347    | 0.14347    |   0.0 |  1.15
Other   |            | 0.02059    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5149.00 ave        5149 max        5149 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311278.0 ave      311278 max      311278 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311278
Ave neighs/atom = 155.63900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.906784937614, Press = -21.1420032804637
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -7128.8792   -7128.8792   -7205.2772   -7205.2772    295.66823    295.66823    23579.685    23579.685   -1998.6566   -1998.6566 
    9000    -7129.935    -7129.935   -7206.5501   -7206.5501     296.5084     296.5084    23571.476    23571.476   -919.42077   -919.42077 
Loop time of 12.4478 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.941 ns/day, 3.458 hours/ns, 80.335 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.245     | 12.245     | 12.245     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039663   | 0.039663   | 0.039663   |   0.0 |  0.32
Output  | 9.0396e-05 | 9.0396e-05 | 9.0396e-05 |   0.0 |  0.00
Modify  | 0.14254    | 0.14254    | 0.14254    |   0.0 |  1.15
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:        5159.00 ave        5159 max        5159 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310554.0 ave      310554 max      310554 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310554
Ave neighs/atom = 155.27700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.476527750991, Press = -7.28703728096685
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000    -7129.935    -7129.935   -7206.5501   -7206.5501     296.5084     296.5084    23571.476    23571.476   -919.42077   -919.42077 
   10000   -7134.3449   -7134.3449   -7209.3714   -7209.3714    290.36052    290.36052    23515.447    23515.447    1947.1614    1947.1614 
Loop time of 12.4293 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.951 ns/day, 3.453 hours/ns, 80.455 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.226     | 12.226     | 12.226     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039833   | 0.039833   | 0.039833   |   0.0 |  0.32
Output  | 8.8366e-05 | 8.8366e-05 | 8.8366e-05 |   0.0 |  0.00
Modify  | 0.14282    | 0.14282    | 0.14282    |   0.0 |  1.15
Other   |            | 0.02034    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5174.00 ave        5174 max        5174 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311314.0 ave      311314 max      311314 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311314
Ave neighs/atom = 155.65700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.135657885585, Press = -13.8792713793335
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -7134.3449   -7134.3449   -7209.3714   -7209.3714    290.36052    290.36052    23515.447    23515.447    1947.1614    1947.1614 
   11000   -7129.5087   -7129.5087   -7205.1833   -7205.1833    292.86852    292.86852    23569.831    23569.831   -150.07554   -150.07554 
Loop time of 12.4447 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.943 ns/day, 3.457 hours/ns, 80.355 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.242     | 12.242     | 12.242     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039639   | 0.039639   | 0.039639   |   0.0 |  0.32
Output  | 8.8504e-05 | 8.8504e-05 | 8.8504e-05 |   0.0 |  0.00
Modify  | 0.14276    | 0.14276    | 0.14276    |   0.0 |  1.15
Other   |            | 0.02039    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5152.00 ave        5152 max        5152 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311974.0 ave      311974 max      311974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311974
Ave neighs/atom = 155.98700
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 = 292.05437114436, Press = -20.33970479725
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -7129.5087   -7129.5087   -7205.1833   -7205.1833    292.86852    292.86852    23569.831    23569.831   -150.07554   -150.07554 
   12000   -7127.6605   -7127.6605   -7204.3718   -7204.3718    296.88036    296.88036    23563.022    23563.022   -1177.5221   -1177.5221 
Loop time of 12.437 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.947 ns/day, 3.455 hours/ns, 80.405 timesteps/s
100.0% 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 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039644   | 0.039644   | 0.039644   |   0.0 |  0.32
Output  | 8.0346e-05 | 8.0346e-05 | 8.0346e-05 |   0.0 |  0.00
Modify  | 0.14238    | 0.14238    | 0.14238    |   0.0 |  1.14
Other   |            | 0.0205     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5153.00 ave        5153 max        5153 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310672.0 ave      310672 max      310672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310672
Ave neighs/atom = 155.33600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.996340778972, Press = 2.16820723200311
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -7127.6605   -7127.6605   -7204.3718   -7204.3718    296.88036    296.88036    23563.022    23563.022   -1177.5221   -1177.5221 
   13000   -7130.7702   -7130.7702   -7206.0686   -7206.0686    291.41258    291.41258    23537.402    23537.402    929.07314    929.07314 
Loop time of 12.4797 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.923 ns/day, 3.467 hours/ns, 80.130 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.276     | 12.276     | 12.276     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039633   | 0.039633   | 0.039633   |   0.0 |  0.32
Output  | 6.0926e-05 | 6.0926e-05 | 6.0926e-05 |   0.0 |  0.00
Modify  | 0.14295    | 0.14295    | 0.14295    |   0.0 |  1.15
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:        5145.00 ave        5145 max        5145 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310378.0 ave      310378 max      310378 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310378
Ave neighs/atom = 155.18900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.196798440364, Press = -8.29605587613658
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -7130.7702   -7130.7702   -7206.0686   -7206.0686    291.41258    291.41258    23537.402    23537.402    929.07314    929.07314 
   14000   -7131.3322   -7131.3322   -7206.8912   -7206.8912     292.4213     292.4213    23535.782    23535.782    1411.7911    1411.7911 
Loop time of 12.4376 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.947 ns/day, 3.455 hours/ns, 80.402 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.235     | 12.235     | 12.235     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039789   | 0.039789   | 0.039789   |   0.0 |  0.32
Output  | 9.4798e-05 | 9.4798e-05 | 9.4798e-05 |   0.0 |  0.00
Modify  | 0.14274    | 0.14274    | 0.14274    |   0.0 |  1.15
Other   |            | 0.0203     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5143.00 ave        5143 max        5143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311330.0 ave      311330 max      311330 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311330
Ave neighs/atom = 155.66500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.271933157547, Press = -3.87903097463168
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -7131.3322   -7131.3322   -7206.8912   -7206.8912     292.4213     292.4213    23535.782    23535.782    1411.7911    1411.7911 
   15000   -7129.8055   -7129.8055   -7206.3892   -7206.3892    296.38668    296.38668     23582.15     23582.15   -1572.5354   -1572.5354 
Loop time of 12.4392 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.946 ns/day, 3.455 hours/ns, 80.391 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.236     | 12.236     | 12.236     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040033   | 0.040033   | 0.040033   |   0.0 |  0.32
Output  | 6.2015e-05 | 6.2015e-05 | 6.2015e-05 |   0.0 |  0.00
Modify  | 0.14241    | 0.14241    | 0.14241    |   0.0 |  1.14
Other   |            | 0.0207     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311342.0 ave      311342 max      311342 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311342
Ave neighs/atom = 155.67100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.485129171233, Press = -8.77849326385893
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -7129.8055   -7129.8055   -7206.3892   -7206.3892    296.38668    296.38668     23582.15     23582.15   -1572.5354   -1572.5354 
   16000   -7131.8079   -7131.8079   -7205.1797   -7205.1797    283.95635    283.95635    23564.801    23564.801   -1382.3622   -1382.3622 
Loop time of 12.4552 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.937 ns/day, 3.460 hours/ns, 80.288 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.252     | 12.252     | 12.252     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039836   | 0.039836   | 0.039836   |   0.0 |  0.32
Output  | 9.2182e-05 | 9.2182e-05 | 9.2182e-05 |   0.0 |  0.00
Modify  | 0.14311    | 0.14311    | 0.14311    |   0.0 |  1.15
Other   |            | 0.02044    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5146.00 ave        5146 max        5146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310500.0 ave      310500 max      310500 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310500
Ave neighs/atom = 155.25000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.697189180914, Press = 2.42935930629949
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -7131.8079   -7131.8079   -7205.1797   -7205.1797    283.95635    283.95635    23564.801    23564.801   -1382.3622   -1382.3622 
   17000   -7127.4369   -7127.4369    -7204.255    -7204.255    297.29398    297.29398    23526.299    23526.299    2281.4817    2281.4817 
Loop time of 12.4504 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.940 ns/day, 3.458 hours/ns, 80.319 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    | 12.247     | 12.247     | 12.247     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039968   | 0.039968   | 0.039968   |   0.0 |  0.32
Output  | 8.4463e-05 | 8.4463e-05 | 8.4463e-05 |   0.0 |  0.00
Modify  | 0.14322    | 0.14322    | 0.14322    |   0.0 |  1.15
Other   |            | 0.02047    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5156.00 ave        5156 max        5156 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311088.0 ave      311088 max      311088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311088
Ave neighs/atom = 155.54400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.873121013155, Press = 2.05320816422003
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -7127.4369   -7127.4369    -7204.255    -7204.255    297.29398    297.29398    23526.299    23526.299    2281.4817    2281.4817 
   18000   -7131.9793   -7131.9793   -7207.4504   -7207.4504    292.08107    292.08107    23540.565    23540.565    1157.6574    1157.6574 
Loop time of 12.4458 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.942 ns/day, 3.457 hours/ns, 80.348 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.243     | 12.243     | 12.243     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039852   | 0.039852   | 0.039852   |   0.0 |  0.32
Output  | 8.0696e-05 | 8.0696e-05 | 8.0696e-05 |   0.0 |  0.00
Modify  | 0.14239    | 0.14239    | 0.14239    |   0.0 |  1.14
Other   |            | 0.02053    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311426.0 ave      311426 max      311426 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311426
Ave neighs/atom = 155.71300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.804282875073, Press = -12.2449774442782
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -7131.9793   -7131.9793   -7207.4504   -7207.4504    292.08107    292.08107    23540.565    23540.565    1157.6574    1157.6574 
   19000    -7128.046    -7128.046    -7205.308    -7205.308     299.0117     299.0117    23568.971    23568.971   -1408.1292   -1408.1292 
Loop time of 12.4735 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.927 ns/day, 3.465 hours/ns, 80.170 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.267     | 12.267     | 12.267     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039919   | 0.039919   | 0.039919   |   0.0 |  0.32
Output  | 9.7063e-05 | 9.7063e-05 | 9.7063e-05 |   0.0 |  0.00
Modify  | 0.14391    | 0.14391    | 0.14391    |   0.0 |  1.15
Other   |            | 0.0221     |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5135.00 ave        5135 max        5135 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311174.0 ave      311174 max      311174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311174
Ave neighs/atom = 155.58700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.80054392943, Press = -3.08112429732781
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000    -7128.046    -7128.046    -7205.308    -7205.308     299.0117     299.0117    23568.971    23568.971   -1408.1292   -1408.1292 
   20000   -7130.7115   -7130.7115   -7208.2266   -7208.2266    299.99116    299.99116    23545.623    23545.623    412.34048    412.34048 
Loop time of 12.4476 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.941 ns/day, 3.458 hours/ns, 80.337 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.243     | 12.243     | 12.243     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040111   | 0.040111   | 0.040111   |   0.0 |  0.32
Output  | 6.1802e-05 | 6.1802e-05 | 6.1802e-05 |   0.0 |  0.00
Modify  | 0.14282    | 0.14282    | 0.14282    |   0.0 |  1.15
Other   |            | 0.02139    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310624.0 ave      310624 max      310624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310624
Ave neighs/atom = 155.31200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.834030219151, Press = -3.08963688946672
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -7130.7115   -7130.7115   -7208.2266   -7208.2266    299.99116    299.99116    23545.623    23545.623    412.34048    412.34048 
   21000   -7129.5991   -7129.5991   -7205.3915   -7205.3915    293.32429    293.32429    23534.222    23534.222    1056.9393    1056.9393 
Loop time of 12.5024 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.911 ns/day, 3.473 hours/ns, 79.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.298     | 12.298     | 12.298     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040127   | 0.040127   | 0.040127   |   0.0 |  0.32
Output  | 8.8259e-05 | 8.8259e-05 | 8.8259e-05 |   0.0 |  0.00
Modify  | 0.14368    | 0.14368    | 0.14368    |   0.0 |  1.15
Other   |            | 0.0206     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5164.00 ave        5164 max        5164 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311406.0 ave      311406 max      311406 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311406
Ave neighs/atom = 155.70300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.805502150775, Press = -1.05846914709854
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -7129.5991   -7129.5991   -7205.3915   -7205.3915    293.32429    293.32429    23534.222    23534.222    1056.9393    1056.9393 
   22000   -7133.2648   -7133.2648   -7208.0257   -7208.0257     289.3325     289.3325    23601.935    23601.935    -3386.276    -3386.276 
Loop time of 12.442 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.944 ns/day, 3.456 hours/ns, 80.373 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.239     | 12.239     | 12.239     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039649   | 0.039649   | 0.039649   |   0.0 |  0.32
Output  | 8.9577e-05 | 8.9577e-05 | 8.9577e-05 |   0.0 |  0.00
Modify  | 0.14269    | 0.14269    | 0.14269    |   0.0 |  1.15
Other   |            | 0.02029    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5146.00 ave        5146 max        5146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311446.0 ave      311446 max      311446 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311446
Ave neighs/atom = 155.72300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.681706536513, Press = -1.6974883857706
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -7133.2648   -7133.2648   -7208.0257   -7208.0257     289.3325     289.3325    23601.935    23601.935    -3386.276    -3386.276 
   23000   -7128.9334   -7128.9334    -7205.018    -7205.018     294.4554     294.4554    23584.408    23584.408    -1886.636    -1886.636 
Loop time of 12.4347 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.948 ns/day, 3.454 hours/ns, 80.420 timesteps/s
100.0% 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 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039814   | 0.039814   | 0.039814   |   0.0 |  0.32
Output  | 8.9161e-05 | 8.9161e-05 | 8.9161e-05 |   0.0 |  0.00
Modify  | 0.14291    | 0.14291    | 0.14291    |   0.0 |  1.15
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:        5176.00 ave        5176 max        5176 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310294.0 ave      310294 max      310294 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310294
Ave neighs/atom = 155.14700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.60638487483, Press = -1.44551475845308
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -7128.9334   -7128.9334    -7205.018    -7205.018     294.4554     294.4554    23584.408    23584.408    -1886.636    -1886.636 
   24000   -7129.6874   -7129.6874    -7206.369    -7206.369    296.76567    296.76567    23509.595    23509.595    3435.7801    3435.7801 
Loop time of 12.4157 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.959 ns/day, 3.449 hours/ns, 80.543 timesteps/s
100.0% 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 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039665   | 0.039665   | 0.039665   |   0.0 |  0.32
Output  | 6.2134e-05 | 6.2134e-05 | 6.2134e-05 |   0.0 |  0.00
Modify  | 0.1424     | 0.1424     | 0.1424     |   0.0 |  1.15
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:        5151.00 ave        5151 max        5151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310616.0 ave      310616 max      310616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310616
Ave neighs/atom = 155.30800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.538616425319, Press = -4.03529064942398
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -7129.6874   -7129.6874    -7206.369    -7206.369    296.76567    296.76567    23509.595    23509.595    3435.7801    3435.7801 
   25000   -7130.6727   -7130.6727   -7207.4794   -7207.4794    297.24997    297.24997    23576.967    23576.967   -2035.3571   -2035.3571 
Loop time of 12.4425 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.944 ns/day, 3.456 hours/ns, 80.370 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.239     | 12.239     | 12.239     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039514   | 0.039514   | 0.039514   |   0.0 |  0.32
Output  | 9.3209e-05 | 9.3209e-05 | 9.3209e-05 |   0.0 |  0.00
Modify  | 0.14255    | 0.14255    | 0.14255    |   0.0 |  1.15
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:        5167.00 ave        5167 max        5167 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311934.0 ave      311934 max      311934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311934
Ave neighs/atom = 155.96700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.69796386317, Press = -1.30319853818434
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -7130.6727   -7130.6727   -7207.4794   -7207.4794    297.24997    297.24997    23576.967    23576.967   -2035.3571   -2035.3571 
   26000   -7125.7201   -7125.7201   -7203.4596   -7203.4596    300.85976    300.85976    23574.922    23574.922   -1440.2757   -1440.2757 
Loop time of 12.3889 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.974 ns/day, 3.441 hours/ns, 80.717 timesteps/s
100.0% 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 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039308   | 0.039308   | 0.039308   |   0.0 |  0.32
Output  | 6.1383e-05 | 6.1383e-05 | 6.1383e-05 |   0.0 |  0.00
Modify  | 0.14162    | 0.14162    | 0.14162    |   0.0 |  1.14
Other   |            | 0.02031    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5131.00 ave        5131 max        5131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310534.0 ave      310534 max      310534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310534
Ave neighs/atom = 155.26700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.797897014173, Press = -1.10472441387992
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -7125.7201   -7125.7201   -7203.4596   -7203.4596    300.85976    300.85976    23574.922    23574.922   -1440.2757   -1440.2757 
   27000   -7131.2928   -7131.2928   -7204.4776   -7204.4776     283.2327     283.2327    23528.185    23528.185    1466.0126    1466.0126 
Loop time of 12.2679 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.043 ns/day, 3.408 hours/ns, 81.513 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.07      | 12.07      | 12.07      |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039174   | 0.039174   | 0.039174   |   0.0 |  0.32
Output  | 7.6442e-05 | 7.6442e-05 | 7.6442e-05 |   0.0 |  0.00
Modify  | 0.13886    | 0.13886    | 0.13886    |   0.0 |  1.13
Other   |            | 0.02008    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5147.00 ave        5147 max        5147 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310476.0 ave      310476 max      310476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310476
Ave neighs/atom = 155.23800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.866414505202, Press = -1.43294878156448
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -7131.2928   -7131.2928   -7204.4776   -7204.4776     283.2327     283.2327    23528.185    23528.185    1466.0126    1466.0126 
   28000   -7129.6333   -7129.6333   -7204.9353   -7204.9353    291.42649    291.42649     23598.73     23598.73   -3642.8527   -3642.8527 
Loop time of 12.2424 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.057 ns/day, 3.401 hours/ns, 81.684 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.043     | 12.043     | 12.043     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039145   | 0.039145   | 0.039145   |   0.0 |  0.32
Output  | 6.1439e-05 | 6.1439e-05 | 6.1439e-05 |   0.0 |  0.00
Modify  | 0.13874    | 0.13874    | 0.13874    |   0.0 |  1.13
Other   |            | 0.02133    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5155.00 ave        5155 max        5155 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311426.0 ave      311426 max      311426 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311426
Ave neighs/atom = 155.71300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.939126834609, Press = -2.61231854226219
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -7129.6333   -7129.6333   -7204.9353   -7204.9353    291.42649    291.42649     23598.73     23598.73   -3642.8527   -3642.8527 
   29000   -7132.9009   -7132.9009   -7206.2107   -7206.2107    283.71683    283.71683    23548.855    23548.855    203.34262    203.34262 
Loop time of 12.2586 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.048 ns/day, 3.405 hours/ns, 81.575 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    | 12.057     | 12.057     | 12.057     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039204   | 0.039204   | 0.039204   |   0.0 |  0.32
Output  | 6.1416e-05 | 6.1416e-05 | 6.1416e-05 |   0.0 |  0.00
Modify  | 0.13918    | 0.13918    | 0.13918    |   0.0 |  1.14
Other   |            | 0.02321    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310472.0 ave      310472 max      310472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310472
Ave neighs/atom = 155.23600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.905499129427, Press = -1.70232814448469
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -7132.9009   -7132.9009   -7206.2107   -7206.2107    283.71683    283.71683    23548.855    23548.855    203.34262    203.34262 
   30000   -7129.7011   -7129.7011   -7205.2019   -7205.2019    292.19581    292.19581    23547.547    23547.547    191.24966    191.24966 
Loop time of 12.2623 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.046 ns/day, 3.406 hours/ns, 81.550 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.064     | 12.064     | 12.064     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039362   | 0.039362   | 0.039362   |   0.0 |  0.32
Output  | 6.7024e-05 | 6.7024e-05 | 6.7024e-05 |   0.0 |  0.00
Modify  | 0.13881    | 0.13881    | 0.13881    |   0.0 |  1.13
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5168.00 ave        5168 max        5168 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310978.0 ave      310978 max      310978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310978
Ave neighs/atom = 155.48900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.849320705579, Press = -0.453057864677549
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -7129.7011   -7129.7011   -7205.2019   -7205.2019    292.19581    292.19581    23547.547    23547.547    191.24966    191.24966 
   31000   -7133.5655   -7133.5655   -7208.3479   -7208.3479    289.41559    289.41559    23559.971    23559.971   -1007.3077   -1007.3077 
Loop time of 12.2484 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.054 ns/day, 3.402 hours/ns, 81.644 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.049     | 12.049     | 12.049     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039352   | 0.039352   | 0.039352   |   0.0 |  0.32
Output  | 6.2352e-05 | 6.2352e-05 | 6.2352e-05 |   0.0 |  0.00
Modify  | 0.13918    | 0.13918    | 0.13918    |   0.0 |  1.14
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:        5162.00 ave        5162 max        5162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311072.0 ave      311072 max      311072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311072
Ave neighs/atom = 155.53600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.751701022362, Press = -3.11572627537064
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -7133.5655   -7133.5655   -7208.3479   -7208.3479    289.41559    289.41559    23559.971    23559.971   -1007.3077   -1007.3077 
   32000   -7130.0095   -7130.0095   -7206.4804   -7206.4804    295.95042    295.95042    23552.115    23552.115    303.00658    303.00658 
Loop time of 12.2523 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.052 ns/day, 3.403 hours/ns, 81.617 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    | 12.051     | 12.051     | 12.051     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03935    | 0.03935    | 0.03935    |   0.0 |  0.32
Output  | 8.4643e-05 | 8.4643e-05 | 8.4643e-05 |   0.0 |  0.00
Modify  | 0.13902    | 0.13902    | 0.13902    |   0.0 |  1.13
Other   |            | 0.0227     |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310998.0 ave      310998 max      310998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310998
Ave neighs/atom = 155.49900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.738795225427, Press = -1.38671745121548
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -7130.0095   -7130.0095   -7206.4804   -7206.4804    295.95042    295.95042    23552.115    23552.115    303.00658    303.00658 
   33000   -7128.7898   -7128.7898   -7205.7437   -7205.7437    297.81946    297.81946    23566.973    23566.973   -959.38129   -959.38129 
Loop time of 12.2613 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.047 ns/day, 3.406 hours/ns, 81.558 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.061     | 12.061     | 12.061     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039221   | 0.039221   | 0.039221   |   0.0 |  0.32
Output  | 6.1854e-05 | 6.1854e-05 | 6.1854e-05 |   0.0 |  0.00
Modify  | 0.13886    | 0.13886    | 0.13886    |   0.0 |  1.13
Other   |            | 0.02232    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311146.0 ave      311146 max      311146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311146
Ave neighs/atom = 155.57300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.750814389228, Press = -0.402634160831507
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -7128.7898   -7128.7898   -7205.7437   -7205.7437    297.81946    297.81946    23566.973    23566.973   -959.38129   -959.38129 
   34000    -7133.424    -7133.424   -7208.4317   -7208.4317    290.28788    290.28788    23535.158    23535.158     675.4961     675.4961 
Loop time of 12.2586 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.048 ns/day, 3.405 hours/ns, 81.575 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    | 12.057     | 12.057     | 12.057     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039112   | 0.039112   | 0.039112   |   0.0 |  0.32
Output  | 6.1827e-05 | 6.1827e-05 | 6.1827e-05 |   0.0 |  0.00
Modify  | 0.13883    | 0.13883    | 0.13883    |   0.0 |  1.13
Other   |            | 0.02326    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5145.00 ave        5145 max        5145 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311130.0 ave      311130 max      311130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311130
Ave neighs/atom = 155.56500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.664033906783, Press = -3.45600343942567
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000    -7133.424    -7133.424   -7208.4317   -7208.4317    290.28788    290.28788    23535.158    23535.158     675.4961     675.4961 
   35000   -7128.6699   -7128.6699    -7204.371    -7204.371    292.97113    292.97113    23557.593    23557.593   -978.61752   -978.61752 
Loop time of 12.2491 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.054 ns/day, 3.403 hours/ns, 81.639 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.048     | 12.048     | 12.048     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039131   | 0.039131   | 0.039131   |   0.0 |  0.32
Output  | 6.1014e-05 | 6.1014e-05 | 6.1014e-05 |   0.0 |  0.00
Modify  | 0.13879    | 0.13879    | 0.13879    |   0.0 |  1.13
Other   |            | 0.02286    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5156.00 ave        5156 max        5156 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311440.0 ave      311440 max      311440 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311440
Ave neighs/atom = 155.72000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.685603454369, Press = -0.111136193184896
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -7128.6699   -7128.6699    -7204.371    -7204.371    292.97113    292.97113    23557.593    23557.593   -978.61752   -978.61752 
   36000   -7129.7244   -7129.7244   -7204.5671   -7204.5671    289.64915    289.64915    23526.417    23526.417    3151.9158    3151.9158 
Loop time of 12.2592 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.048 ns/day, 3.405 hours/ns, 81.572 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.061     | 12.061     | 12.061     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038987   | 0.038987   | 0.038987   |   0.0 |  0.32
Output  | 6.0562e-05 | 6.0562e-05 | 6.0562e-05 |   0.0 |  0.00
Modify  | 0.13851    | 0.13851    | 0.13851    |   0.0 |  1.13
Other   |            | 0.02033    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5137.00 ave        5137 max        5137 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310848.0 ave      310848 max      310848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310848
Ave neighs/atom = 155.42400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.710056191834, Press = -2.23145506928192
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -7129.7244   -7129.7244   -7204.5671   -7204.5671    289.64915    289.64915    23526.417    23526.417    3151.9158    3151.9158 
   37000   -7127.8266   -7127.8266   -7204.1704   -7204.1704    295.45809    295.45809    23589.683    23589.683    -3305.951    -3305.951 
Loop time of 12.2393 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.059 ns/day, 3.400 hours/ns, 81.704 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    | 12.04      | 12.04      | 12.04      |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038915   | 0.038915   | 0.038915   |   0.0 |  0.32
Output  | 7.6097e-05 | 7.6097e-05 | 7.6097e-05 |   0.0 |  0.00
Modify  | 0.13841    | 0.13841    | 0.13841    |   0.0 |  1.13
Other   |            | 0.02141    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5140.00 ave        5140 max        5140 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311298.0 ave      311298 max      311298 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311298
Ave neighs/atom = 155.64900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.806654208504, Press = 0.141544923021954
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -7127.8266   -7127.8266   -7204.1704   -7204.1704    295.45809    295.45809    23589.683    23589.683    -3305.951    -3305.951 
   38000   -7129.8326   -7129.8326   -7204.5703   -7204.5703    289.24246    289.24246    23536.382    23536.382     878.9972     878.9972 
Loop time of 12.2214 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.070 ns/day, 3.395 hours/ns, 81.824 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.024     | 12.024     | 12.024     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039134   | 0.039134   | 0.039134   |   0.0 |  0.32
Output  | 5.6774e-05 | 5.6774e-05 | 5.6774e-05 |   0.0 |  0.00
Modify  | 0.13819    | 0.13819    | 0.13819    |   0.0 |  1.13
Other   |            | 0.01985    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5143.00 ave        5143 max        5143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310514.0 ave      310514 max      310514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310514
Ave neighs/atom = 155.25700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.803691505692, Press = -0.839968646050788
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -7129.8326   -7129.8326   -7204.5703   -7204.5703    289.24246    289.24246    23536.382    23536.382     878.9972     878.9972 
   39000    -7129.445    -7129.445   -7205.6739   -7205.6739    295.01388    295.01388    23556.604    23556.604    174.92093    174.92093 
Loop time of 12.2468 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.055 ns/day, 3.402 hours/ns, 81.654 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.048     | 12.048     | 12.048     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039183   | 0.039183   | 0.039183   |   0.0 |  0.32
Output  | 6.1262e-05 | 6.1262e-05 | 6.1262e-05 |   0.0 |  0.00
Modify  | 0.13808    | 0.13808    | 0.13808    |   0.0 |  1.13
Other   |            | 0.02097    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5156.00 ave        5156 max        5156 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311500.0 ave      311500 max      311500 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311500
Ave neighs/atom = 155.75000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.784003389938, Press = -3.27781662823363
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000    -7129.445    -7129.445   -7205.6739   -7205.6739    295.01388    295.01388    23556.604    23556.604    174.92093    174.92093 
   40000   -7133.5319   -7133.5319   -7208.2299   -7208.2299    289.08889    289.08889    23528.001    23528.001    1651.7919    1651.7919 
Loop time of 12.2234 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.068 ns/day, 3.395 hours/ns, 81.810 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.026     | 12.026     | 12.026     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038985   | 0.038985   | 0.038985   |   0.0 |  0.32
Output  | 5.5806e-05 | 5.5806e-05 | 5.5806e-05 |   0.0 |  0.00
Modify  | 0.13822    | 0.13822    | 0.13822    |   0.0 |  1.13
Other   |            | 0.0202     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5165.00 ave        5165 max        5165 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310908.0 ave      310908 max      310908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310908
Ave neighs/atom = 155.45400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.76836645837, Press = 2.34627452402923
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -7133.5319   -7133.5319   -7208.2299   -7208.2299    289.08889    289.08889    23528.001    23528.001    1651.7919    1651.7919 
   41000   -7128.5778   -7128.5778   -7205.6537   -7205.6537    298.29159    298.29159    23591.973    23591.973   -2573.9511   -2573.9511 
Loop time of 12.2335 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.063 ns/day, 3.398 hours/ns, 81.743 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.036     | 12.036     | 12.036     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039247   | 0.039247   | 0.039247   |   0.0 |  0.32
Output  | 5.5301e-05 | 5.5301e-05 | 5.5301e-05 |   0.0 |  0.00
Modify  | 0.13829    | 0.13829    | 0.13829    |   0.0 |  1.13
Other   |            | 0.01982    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5178.00 ave        5178 max        5178 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311416.0 ave      311416 max      311416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311416
Ave neighs/atom = 155.70800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.714105876934, Press = -1.98120788654525
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -7128.5778   -7128.5778   -7205.6537   -7205.6537    298.29159    298.29159    23591.973    23591.973   -2573.9511   -2573.9511 
   42000   -7128.5698   -7128.5698   -7203.7028   -7203.7028    290.77247    290.77247    23520.309    23520.309    2662.7774    2662.7774 
Loop time of 12.2291 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.065 ns/day, 3.397 hours/ns, 81.772 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.031     | 12.031     | 12.031     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039057   | 0.039057   | 0.039057   |   0.0 |  0.32
Output  | 7.5075e-05 | 7.5075e-05 | 7.5075e-05 |   0.0 |  0.00
Modify  | 0.1382     | 0.1382     | 0.1382     |   0.0 |  1.13
Other   |            | 0.02032    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5134.00 ave        5134 max        5134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310768.0 ave      310768 max      310768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310768
Ave neighs/atom = 155.38400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.69178501287, Press = -0.820254613857838
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -7128.5698   -7128.5698   -7203.7028   -7203.7028    290.77247    290.77247    23520.309    23520.309    2662.7774    2662.7774 
   43000   -7129.7885   -7129.7885   -7206.0792   -7206.0792    295.25279    295.25279    23556.885    23556.885   -221.75487   -221.75487 
Loop time of 12.2367 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.061 ns/day, 3.399 hours/ns, 81.722 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.038     | 12.038     | 12.038     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039133   | 0.039133   | 0.039133   |   0.0 |  0.32
Output  | 5.3869e-05 | 5.3869e-05 | 5.3869e-05 |   0.0 |  0.00
Modify  | 0.13821    | 0.13821    | 0.13821    |   0.0 |  1.13
Other   |            | 0.02122    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311278.0 ave      311278 max      311278 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311278
Ave neighs/atom = 155.63900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.779863144606, Press = -1.20987704158069
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -7129.7885   -7129.7885   -7206.0792   -7206.0792    295.25279    295.25279    23556.885    23556.885   -221.75487   -221.75487 
   44000   -7129.2165   -7129.2165   -7204.6815   -7204.6815    292.05725    292.05725    23581.156    23581.156   -2407.1715   -2407.1715 
Loop time of 12.2354 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.061 ns/day, 3.399 hours/ns, 81.730 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.038     | 12.038     | 12.038     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039212   | 0.039212   | 0.039212   |   0.0 |  0.32
Output  | 5.3308e-05 | 5.3308e-05 | 5.3308e-05 |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.13
Other   |            | 0.01991    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5159.00 ave        5159 max        5159 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310900.0 ave      310900 max      310900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310900
Ave neighs/atom = 155.45000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.793040720858, Press = -0.951901447498981
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -7129.2165   -7129.2165   -7204.6815   -7204.6815    292.05725    292.05725    23581.156    23581.156   -2407.1715   -2407.1715 
   45000   -7130.1926   -7130.1926   -7207.2634   -7207.2634    298.27184    298.27184    23505.986    23505.986    2446.2457    2446.2457 
Loop time of 12.2187 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.841 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.021     | 12.021     | 12.021     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039083   | 0.039083   | 0.039083   |   0.0 |  0.32
Output  | 5.2162e-05 | 5.2162e-05 | 5.2162e-05 |   0.0 |  0.00
Modify  | 0.13807    | 0.13807    | 0.13807    |   0.0 |  1.13
Other   |            | 0.02036    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310600.0 ave      310600 max      310600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310600
Ave neighs/atom = 155.30000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.857130180062, Press = -1.5886529294798
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -7130.1926   -7130.1926   -7207.2634   -7207.2634    298.27184    298.27184    23505.986    23505.986    2446.2457    2446.2457 
   46000   -7125.7934   -7125.7934   -7204.1738   -7204.1738    303.34012    303.34012    23572.562    23572.562   -896.57913   -896.57913 
Loop time of 12.249 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.054 ns/day, 3.402 hours/ns, 81.639 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.05      | 12.05      | 12.05      |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038975   | 0.038975   | 0.038975   |   0.0 |  0.32
Output  | 5.7762e-05 | 5.7762e-05 | 5.7762e-05 |   0.0 |  0.00
Modify  | 0.13826    | 0.13826    | 0.13826    |   0.0 |  1.13
Other   |            | 0.02134    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5160.00 ave        5160 max        5160 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311902.0 ave      311902 max      311902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311902
Ave neighs/atom = 155.95100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.88978197154, Press = -1.04533302864361
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -7125.7934   -7125.7934   -7204.1738   -7204.1738    303.34012    303.34012    23572.562    23572.562   -896.57913   -896.57913 
   47000    -7131.368    -7131.368   -7206.7813   -7206.7813    291.85719    291.85719    23565.509    23565.509   -551.28206   -551.28206 
Loop time of 12.2436 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.057 ns/day, 3.401 hours/ns, 81.675 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.045     | 12.045     | 12.045     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03901    | 0.03901    | 0.03901    |   0.0 |  0.32
Output  | 6.7968e-05 | 6.7968e-05 | 6.7968e-05 |   0.0 |  0.00
Modify  | 0.13821    | 0.13821    | 0.13821    |   0.0 |  1.13
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:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310776.0 ave      310776 max      310776 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310776
Ave neighs/atom = 155.38800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.928987941955, Press = -1.29225777021928
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000    -7131.368    -7131.368   -7206.7813   -7206.7813    291.85719    291.85719    23565.509    23565.509   -551.28206   -551.28206 
   48000    -7130.386    -7130.386   -7208.5086   -7208.5086    302.34249    302.34249    23552.463    23552.463   -457.34169   -457.34169 
Loop time of 12.2323 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.063 ns/day, 3.398 hours/ns, 81.751 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.035     | 12.035     | 12.035     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038993   | 0.038993   | 0.038993   |   0.0 |  0.32
Output  | 4.3489e-05 | 4.3489e-05 | 4.3489e-05 |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.13
Other   |            | 0.02036    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310746.0 ave      310746 max      310746 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310746
Ave neighs/atom = 155.37300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.919992979004, Press = -0.317454656923706
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000    -7130.386    -7130.386   -7208.5086   -7208.5086    302.34249    302.34249    23552.463    23552.463   -457.34169   -457.34169 
   49000   -7129.8623   -7129.8623   -7207.0131   -7207.0131    298.58157    298.58157    23530.033    23530.033    1852.4402    1852.4402 
Loop time of 12.2359 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.061 ns/day, 3.399 hours/ns, 81.727 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.037     | 12.037     | 12.037     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039054   | 0.039054   | 0.039054   |   0.0 |  0.32
Output  | 5.1484e-05 | 5.1484e-05 | 5.1484e-05 |   0.0 |  0.00
Modify  | 0.13834    | 0.13834    | 0.13834    |   0.0 |  1.13
Other   |            | 0.02118    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5155.00 ave        5155 max        5155 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311166.0 ave      311166 max      311166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311166
Ave neighs/atom = 155.58300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.84320712546, Press = -2.457701730631
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -7129.8623   -7129.8623   -7207.0131   -7207.0131    298.58157    298.58157    23530.033    23530.033    1852.4402    1852.4402 
   50000   -7132.4903   -7132.4903   -7206.8678   -7206.8678    287.84841    287.84841    23531.209    23531.209    1625.9148    1625.9148 
Loop time of 12.2457 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.056 ns/day, 3.402 hours/ns, 81.661 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    | 12.049     | 12.049     | 12.049     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039159   | 0.039159   | 0.039159   |   0.0 |  0.32
Output  | 4.2242e-05 | 4.2242e-05 | 4.2242e-05 |   0.0 |  0.00
Modify  | 0.13827    | 0.13827    | 0.13827    |   0.0 |  1.13
Other   |            | 0.01975    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5164.00 ave        5164 max        5164 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311334.0 ave      311334 max      311334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311334
Ave neighs/atom = 155.66700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.842750745058, Press = -0.427169602665196
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -7132.4903   -7132.4903   -7206.8678   -7206.8678    287.84841    287.84841    23531.209    23531.209    1625.9148    1625.9148 
   51000   -7129.1129   -7129.1129   -7205.2336   -7205.2336    294.59469    294.59469    23598.468    23598.468     -3389.55     -3389.55 
Loop time of 12.2475 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.054 ns/day, 3.402 hours/ns, 81.649 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.051     | 12.051     | 12.051     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039077   | 0.039077   | 0.039077   |   0.0 |  0.32
Output  | 4.8273e-05 | 4.8273e-05 | 4.8273e-05 |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.13
Other   |            | 0.01978    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5171.00 ave        5171 max        5171 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311266.0 ave      311266 max      311266 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311266
Ave neighs/atom = 155.63300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.840864112615, Press = -0.612360170024896
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -7129.1129   -7129.1129   -7205.2336   -7205.2336    294.59469    294.59469    23598.468    23598.468     -3389.55     -3389.55 
   52000   -7133.2605   -7133.2605    -7207.945    -7207.945    289.03704    289.03704    23522.913    23522.913    2316.1328    2316.1328 
Loop time of 12.245 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.056 ns/day, 3.401 hours/ns, 81.666 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.048     | 12.048     | 12.048     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039051   | 0.039051   | 0.039051   |   0.0 |  0.32
Output  | 6.483e-05  | 6.483e-05  | 6.483e-05  |   0.0 |  0.00
Modify  | 0.1383     | 0.1383     | 0.1383     |   0.0 |  1.13
Other   |            | 0.01984    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5143.00 ave        5143 max        5143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310208.0 ave      310208 max      310208 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310208
Ave neighs/atom = 155.10400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.804512850587, Press = -1.06345924882638
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -7133.2605   -7133.2605    -7207.945    -7207.945    289.03704    289.03704    23522.913    23522.913    2316.1328    2316.1328 
   53000   -7128.4609   -7128.4609   -7204.5583   -7204.5583    294.50479    294.50479    23526.953    23526.953    2243.5415    2243.5415 
Loop time of 12.2412 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.058 ns/day, 3.400 hours/ns, 81.692 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    | 12.044     | 12.044     | 12.044     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039166   | 0.039166   | 0.039166   |   0.0 |  0.32
Output  | 4.8875e-05 | 4.8875e-05 | 4.8875e-05 |   0.0 |  0.00
Modify  | 0.13816    | 0.13816    | 0.13816    |   0.0 |  1.13
Other   |            | 0.01985    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5162.00 ave        5162 max        5162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311510.0 ave      311510 max      311510 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311510
Ave neighs/atom = 155.75500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.772141203559, Press = -1.01678303802978
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -7128.4609   -7128.4609   -7204.5583   -7204.5583    294.50479    294.50479    23526.953    23526.953    2243.5415    2243.5415 
   54000    -7132.801    -7132.801   -7207.2863   -7207.2863    288.26609    288.26609    23585.299    23585.299   -2254.5723   -2254.5723 
Loop time of 12.2213 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.070 ns/day, 3.395 hours/ns, 81.824 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.024     | 12.024     | 12.024     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039415   | 0.039415   | 0.039415   |   0.0 |  0.32
Output  | 6.0994e-05 | 6.0994e-05 | 6.0994e-05 |   0.0 |  0.00
Modify  | 0.1381     | 0.1381     | 0.1381     |   0.0 |  1.13
Other   |            | 0.01988    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5168.00 ave        5168 max        5168 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311326.0 ave      311326 max      311326 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311326
Ave neighs/atom = 155.66300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.744206929553, Press = -0.976018083082258
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000    -7132.801    -7132.801   -7207.2863   -7207.2863    288.26609    288.26609    23585.299    23585.299   -2254.5723   -2254.5723 
   55000   -7127.1326   -7127.1326   -7205.6508   -7205.6508    303.87339    303.87339    23532.663    23532.663    1862.2857    1862.2857 
Loop time of 12.2461 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.055 ns/day, 3.402 hours/ns, 81.659 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    | 12.049     | 12.049     | 12.049     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03889    | 0.03889    | 0.03889    |   0.0 |  0.32
Output  | 5.3015e-05 | 5.3015e-05 | 5.3015e-05 |   0.0 |  0.00
Modify  | 0.13819    | 0.13819    | 0.13819    |   0.0 |  1.13
Other   |            | 0.02       |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5139.00 ave        5139 max        5139 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310588.0 ave      310588 max      310588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310588
Ave neighs/atom = 155.29400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.761961408335, Press = -1.33470811568161
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -7127.1326   -7127.1326   -7205.6508   -7205.6508    303.87339    303.87339    23532.663    23532.663    1862.2857    1862.2857 
   56000   -7131.6907   -7131.6907   -7208.5197   -7208.5197    297.33606    297.33606    23548.122    23548.122    180.07946    180.07946 
Loop time of 12.2387 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.060 ns/day, 3.400 hours/ns, 81.708 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    | 12.04      | 12.04      | 12.04      |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039372   | 0.039372   | 0.039372   |   0.0 |  0.32
Output  | 5.4147e-05 | 5.4147e-05 | 5.4147e-05 |   0.0 |  0.00
Modify  | 0.13849    | 0.13849    | 0.13849    |   0.0 |  1.13
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:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311176.0 ave      311176 max      311176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311176
Ave neighs/atom = 155.58800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.80635260647, Press = -0.578874992248157
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -7131.6907   -7131.6907   -7208.5197   -7208.5197    297.33606    297.33606    23548.122    23548.122    180.07946    180.07946 
   57000   -7126.2062   -7126.2062     -7202.97     -7202.97    297.08365    297.08365    23546.575    23546.575    1083.5582    1083.5582 
Loop time of 12.2448 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.056 ns/day, 3.401 hours/ns, 81.667 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.047     | 12.047     | 12.047     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039059   | 0.039059   | 0.039059   |   0.0 |  0.32
Output  | 8.4602e-05 | 8.4602e-05 | 8.4602e-05 |   0.0 |  0.00
Modify  | 0.13836    | 0.13836    | 0.13836    |   0.0 |  1.13
Other   |            | 0.01983    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5148.00 ave        5148 max        5148 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311190.0 ave      311190 max      311190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311190
Ave neighs/atom = 155.59500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.829055911846, Press = -1.38150172808157
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -7126.2062   -7126.2062     -7202.97     -7202.97    297.08365    297.08365    23546.575    23546.575    1083.5582    1083.5582 
   58000   -7131.5735   -7131.5735   -7206.8153   -7206.8153    291.19362    291.19362    23584.697    23584.697   -3313.2297   -3313.2297 
Loop time of 12.2388 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.059 ns/day, 3.400 hours/ns, 81.707 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.041     | 12.041     | 12.041     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039106   | 0.039106   | 0.039106   |   0.0 |  0.32
Output  | 5.7619e-05 | 5.7619e-05 | 5.7619e-05 |   0.0 |  0.00
Modify  | 0.13834    | 0.13834    | 0.13834    |   0.0 |  1.13
Other   |            | 0.01994    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311168.0 ave      311168 max      311168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311168
Ave neighs/atom = 155.58400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.879289137122, Press = 0.218829461421329
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -7131.5735   -7131.5735   -7206.8153   -7206.8153    291.19362    291.19362    23584.697    23584.697   -3313.2297   -3313.2297 
   59000   -7129.7339   -7129.7339   -7206.5694   -7206.5694    297.36158    297.36158    23524.412    23524.412    2795.0853    2795.0853 
Loop time of 12.2446 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.056 ns/day, 3.401 hours/ns, 81.669 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.047     | 12.047     | 12.047     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039342   | 0.039342   | 0.039342   |   0.0 |  0.32
Output  | 5.8961e-05 | 5.8961e-05 | 5.8961e-05 |   0.0 |  0.00
Modify  | 0.13831    | 0.13831    | 0.13831    |   0.0 |  1.13
Other   |            | 0.01979    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310650.0 ave      310650 max      310650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310650
Ave neighs/atom = 155.32500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.894758035318, Press = 0.119320602020657
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -7129.7339   -7129.7339   -7206.5694   -7206.5694    297.36158    297.36158    23524.412    23524.412    2795.0853    2795.0853 
   60000   -7128.3295   -7128.3295   -7205.6653   -7205.6653    299.29768    299.29768    23541.925    23541.925    1286.3746    1286.3746 
Loop time of 12.2531 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.051 ns/day, 3.404 hours/ns, 81.612 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.056     | 12.056     | 12.056     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039089   | 0.039089   | 0.039089   |   0.0 |  0.32
Output  | 5.7798e-05 | 5.7798e-05 | 5.7798e-05 |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.13
Other   |            | 0.01981    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5143.00 ave        5143 max        5143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311682.0 ave      311682 max      311682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311682
Ave neighs/atom = 155.84100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.917197748611, Press = -0.754869434746309
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -7128.3295   -7128.3295   -7205.6653   -7205.6653    299.29768    299.29768    23541.925    23541.925    1286.3746    1286.3746 
   61000   -7129.6694   -7129.6694    -7205.154    -7205.154    292.13315    292.13315    23585.629    23585.629   -2854.5751   -2854.5751 
Loop time of 12.2423 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.057 ns/day, 3.401 hours/ns, 81.684 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.045     | 12.045     | 12.045     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039079   | 0.039079   | 0.039079   |   0.0 |  0.32
Output  | 5.6906e-05 | 5.6906e-05 | 5.6906e-05 |   0.0 |  0.00
Modify  | 0.1382     | 0.1382     | 0.1382     |   0.0 |  1.13
Other   |            | 0.01975    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5152.00 ave        5152 max        5152 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311336.0 ave      311336 max      311336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311336
Ave neighs/atom = 155.66800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.977278001836, Press = -0.920570676831545
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -7129.6694   -7129.6694    -7205.154    -7205.154    292.13315    292.13315    23585.629    23585.629   -2854.5751   -2854.5751 
   62000   -7130.8856   -7130.8856   -7206.5494   -7206.5494    292.82708    292.82708    23536.457    23536.457    1474.4206    1474.4206 
Loop time of 12.2389 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.059 ns/day, 3.400 hours/ns, 81.707 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.041     | 12.041     | 12.041     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03923    | 0.03923    | 0.03923    |   0.0 |  0.32
Output  | 8.4032e-05 | 8.4032e-05 | 8.4032e-05 |   0.0 |  0.00
Modify  | 0.13837    | 0.13837    | 0.13837    |   0.0 |  1.13
Other   |            | 0.0198     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5141.00 ave        5141 max        5141 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310560.0 ave      310560 max      310560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310560
Ave neighs/atom = 155.28000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.999968256577, Press = -0.925554877845104
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -7130.8856   -7130.8856   -7206.5494   -7206.5494    292.82708    292.82708    23536.457    23536.457    1474.4206    1474.4206 
   63000   -7133.8908   -7133.8908   -7207.9654   -7207.9654    286.67653    286.67653    23541.373    23541.373    120.85832    120.85832 
Loop time of 12.2555 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.050 ns/day, 3.404 hours/ns, 81.596 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.058     | 12.058     | 12.058     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039244   | 0.039244   | 0.039244   |   0.0 |  0.32
Output  | 6.0616e-05 | 6.0616e-05 | 6.0616e-05 |   0.0 |  0.00
Modify  | 0.1383     | 0.1383     | 0.1383     |   0.0 |  1.13
Other   |            | 0.01982    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5173.00 ave        5173 max        5173 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311296.0 ave      311296 max      311296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311296
Ave neighs/atom = 155.64800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.006858196153, Press = -0.488015672095103
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -7133.8908   -7133.8908   -7207.9654   -7207.9654    286.67653    286.67653    23541.373    23541.373    120.85832    120.85832 
   64000   -7129.5987   -7129.5987    -7203.404    -7203.404    285.63411    285.63411    23564.211    23564.211   -512.20357   -512.20357 
Loop time of 12.2582 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.048 ns/day, 3.405 hours/ns, 81.578 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.061     | 12.061     | 12.061     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038965   | 0.038965   | 0.038965   |   0.0 |  0.32
Output  | 5.2258e-05 | 5.2258e-05 | 5.2258e-05 |   0.0 |  0.00
Modify  | 0.13831    | 0.13831    | 0.13831    |   0.0 |  1.13
Other   |            | 0.01972    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5146.00 ave        5146 max        5146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311140.0 ave      311140 max      311140 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311140
Ave neighs/atom = 155.57000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T293.15.out"  else  "print 'not_converged'  file output/vol_T293.15.out"
print '${V}'  file output/vol_T293.15.out
23553.4675827136

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0