# periodic boundary conditions along all three dimensions
boundary p p p

# Set neighbor skin
variable neigh_skin equal 2.0*${_u_distance}
variable neigh_skin equal 2.0*1
neighbor ${neigh_skin} bin
neighbor 2 bin

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.520024351775646*${_u_distance}
variable latticeconst_converted equal 3.520024351775646*1
lattice       fcc  ${latticeconst_converted}
lattice       fcc  3.52002435177565
Lattice spacing in x,y,z = 3.5200244 3.5200244 3.5200244
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 (35.200244 35.200244 35.200244)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 4000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.200244 35.200244 35.200244)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 58.6934*${_u_mass}
variable mass_converted equal 58.6934*1

kim_interactions Ni

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

kim interactions Ni
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
pair_coeff * * Ni
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 58.6934

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 43615.1131909852    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 43615.1131909852/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 43615.1131909852/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 43615.1131909852/(1*1*${_u_distance})
variable      V0_metal equal 43615.1131909852/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 43615.1131909852*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 43615.1131909852 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_532072268679_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 = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0     -17634.6     -17634.6   -17796.471   -17796.471       313.15       313.15    43615.113    43615.113     3964.171     3964.171 
    1000   -17459.618   -17459.618   -17623.954   -17623.954    317.91974    317.91974    43939.199    43939.199    366.77562    366.77562 
Loop time of 36.3546 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.377 ns/day, 10.098 hours/ns, 27.507 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 35.919     | 35.919     | 35.919     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068972   | 0.068972   | 0.068972   |   0.0 |  0.19
Output  | 0.00023219 | 0.00023219 | 0.00023219 |   0.0 |  0.00
Modify  | 0.31237    | 0.31237    | 0.31237    |   0.0 |  0.86
Other   |            | 0.05445    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      896000.0 ave      896000 max      896000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 896000
Ave neighs/atom = 224.00000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -17459.618   -17459.618   -17623.954   -17623.954    317.91974    317.91974    43939.199    43939.199    366.77562    366.77562 
    2000    -17472.39    -17472.39    -17624.49    -17624.49     294.2477     294.2477    43969.013    43969.013   -1379.5003   -1379.5003 
Loop time of 36.1258 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.392 ns/day, 10.035 hours/ns, 27.681 timesteps/s
99.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 35.699     | 35.699     | 35.699     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068354   | 0.068354   | 0.068354   |   0.0 |  0.19
Output  | 0.00014084 | 0.00014084 | 0.00014084 |   0.0 |  0.00
Modify  | 0.30617    | 0.30617    | 0.30617    |   0.0 |  0.85
Other   |            | 0.05185    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887484.0 ave      887484 max      887484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887484
Ave neighs/atom = 221.87100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000    -17472.39    -17472.39    -17624.49    -17624.49     294.2477     294.2477    43969.013    43969.013   -1379.5003   -1379.5003 
    3000   -17467.437   -17467.437   -17631.035   -17631.035    316.49172    316.49172    43943.454    43943.454   -230.54878   -230.54878 
Loop time of 36.0987 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.393 ns/day, 10.027 hours/ns, 27.702 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 35.675     | 35.675     | 35.675     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068691   | 0.068691   | 0.068691   |   0.0 |  0.19
Output  | 0.0001272  | 0.0001272  | 0.0001272  |   0.0 |  0.00
Modify  | 0.30504    | 0.30504    | 0.30504    |   0.0 |  0.85
Other   |            | 0.04976    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887290.0 ave      887290 max      887290 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887290
Ave neighs/atom = 221.82250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -17467.437   -17467.437   -17631.035   -17631.035    316.49172    316.49172    43943.454    43943.454   -230.54878   -230.54878 
    4000   -17467.432   -17467.432    -17635.07    -17635.07    324.30668    324.30668    43900.109    43900.109    1308.3521    1308.3521 
Loop time of 35.4139 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.440 ns/day, 9.837 hours/ns, 28.238 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 35.005     | 35.005     | 35.005     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066582   | 0.066582   | 0.066582   |   0.0 |  0.19
Output  | 0.00013923 | 0.00013923 | 0.00013923 |   0.0 |  0.00
Modify  | 0.29377    | 0.29377    | 0.29377    |   0.0 |  0.83
Other   |            | 0.0484     |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888420.0 ave      888420 max      888420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888420
Ave neighs/atom = 222.10500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -17467.432   -17467.432    -17635.07    -17635.07    324.30668    324.30668    43900.109    43900.109    1308.3521    1308.3521 
    5000   -17471.123   -17471.123    -17631.77    -17631.77    310.78248    310.78248    43920.656    43920.656     413.6588     413.6588 
Loop time of 35.5888 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.428 ns/day, 9.886 hours/ns, 28.099 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    | 35.176     | 35.176     | 35.176     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066866   | 0.066866   | 0.066866   |   0.0 |  0.19
Output  | 0.00010354 | 0.00010354 | 0.00010354 |   0.0 |  0.00
Modify  | 0.29805    | 0.29805    | 0.29805    |   0.0 |  0.84
Other   |            | 0.04795    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888254.0 ave      888254 max      888254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888254
Ave neighs/atom = 222.06350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.338365802288, Press = -692.765265768564
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -17471.123   -17471.123    -17631.77    -17631.77    310.78248    310.78248    43920.656    43920.656     413.6588     413.6588 
    6000   -17466.199   -17466.199    -17632.62    -17632.62    321.95142    321.95142    43977.585    43977.585   -1566.6106   -1566.6106 
Loop time of 36.6787 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.356 ns/day, 10.189 hours/ns, 27.264 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 36.248     | 36.248     | 36.248     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068703   | 0.068703   | 0.068703   |   0.0 |  0.19
Output  | 7.1341e-05 | 7.1341e-05 | 7.1341e-05 |   0.0 |  0.00
Modify  | 0.31246    | 0.31246    | 0.31246    |   0.0 |  0.85
Other   |            | 0.04989    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888164.0 ave      888164 max      888164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888164
Ave neighs/atom = 222.04100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.729381519623, Press = -56.6703500661769
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -17466.199   -17466.199    -17632.62    -17632.62    321.95142    321.95142    43977.585    43977.585   -1566.6106   -1566.6106 
    7000   -17472.718   -17472.718   -17632.266   -17632.266    308.65713    308.65713    43971.728    43971.728   -1652.2059   -1652.2059 
Loop time of 38.3999 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.250 ns/day, 10.667 hours/ns, 26.042 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.945     | 37.945     | 37.945     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.072171   | 0.072171   | 0.072171   |   0.0 |  0.19
Output  | 9.6188e-05 | 9.6188e-05 | 9.6188e-05 |   0.0 |  0.00
Modify  | 0.32999    | 0.32999    | 0.32999    |   0.0 |  0.86
Other   |            | 0.05217    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887598.0 ave      887598 max      887598 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887598
Ave neighs/atom = 221.89950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.069065221166, Press = 17.3014531288751
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -17472.718   -17472.718   -17632.266   -17632.266    308.65713    308.65713    43971.728    43971.728   -1652.2059   -1652.2059 
    8000   -17468.137   -17468.137   -17631.261   -17631.261    315.57525    315.57525    43879.661    43879.661    2186.7666    2186.7666 
Loop time of 39.4216 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.192 ns/day, 10.950 hours/ns, 25.367 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 38.957     | 38.957     | 38.957     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074136   | 0.074136   | 0.074136   |   0.0 |  0.19
Output  | 9.8181e-05 | 9.8181e-05 | 9.8181e-05 |   0.0 |  0.00
Modify  | 0.33743    | 0.33743    | 0.33743    |   0.0 |  0.86
Other   |            | 0.05331    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887368.0 ave      887368 max      887368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887368
Ave neighs/atom = 221.84200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.011367816185, Press = 3.18122427997806
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -17468.137   -17468.137   -17631.261   -17631.261    315.57525    315.57525    43879.661    43879.661    2186.7666    2186.7666 
    9000   -17474.675   -17474.675   -17635.126   -17635.126    310.40198    310.40198     43903.03     43903.03    927.28608    927.28608 
Loop time of 39.3307 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.197 ns/day, 10.925 hours/ns, 25.425 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    | 38.873     | 38.873     | 38.873     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.073346   | 0.073346   | 0.073346   |   0.0 |  0.19
Output  | 0.0001327  | 0.0001327  | 0.0001327  |   0.0 |  0.00
Modify  | 0.33093    | 0.33093    | 0.33093    |   0.0 |  0.84
Other   |            | 0.05344    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888316.0 ave      888316 max      888316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888316
Ave neighs/atom = 222.07900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.693273587699, Press = -14.6499555616377
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -17474.675   -17474.675   -17635.126   -17635.126    310.40198    310.40198     43903.03     43903.03    927.28608    927.28608 
   10000   -17467.945   -17467.945   -17629.109   -17629.109    311.78172    311.78172    43965.553    43965.553   -1053.7853   -1053.7853 
Loop time of 34.9177 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.474 ns/day, 9.699 hours/ns, 28.639 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    | 34.509     | 34.509     | 34.509     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065088   | 0.065088   | 0.065088   |   0.0 |  0.19
Output  | 0.00011158 | 0.00011158 | 0.00011158 |   0.0 |  0.00
Modify  | 0.29566    | 0.29566    | 0.29566    |   0.0 |  0.85
Other   |            | 0.04737    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888314.0 ave      888314 max      888314 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888314
Ave neighs/atom = 222.07850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.495937271524, Press = -11.1079068641802
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -17467.945   -17467.945   -17629.109   -17629.109    311.78172    311.78172    43965.553    43965.553   -1053.7853   -1053.7853 
   11000   -17474.825   -17474.825   -17634.265   -17634.265    308.44745    308.44745    43961.823    43961.823   -1360.2256   -1360.2256 
Loop time of 34.8947 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.476 ns/day, 9.693 hours/ns, 28.658 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 34.489     | 34.489     | 34.489     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064633   | 0.064633   | 0.064633   |   0.0 |  0.19
Output  | 0.00010479 | 0.00010479 | 0.00010479 |   0.0 |  0.00
Modify  | 0.29403    | 0.29403    | 0.29403    |   0.0 |  0.84
Other   |            | 0.0473     |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887434.0 ave      887434 max      887434 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887434
Ave neighs/atom = 221.85850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.404750957861, Press = 0.450301051986144
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -17474.825   -17474.825   -17634.265   -17634.265    308.44745    308.44745    43961.823    43961.823   -1360.2256   -1360.2256 
   12000   -17472.625   -17472.625    -17631.13    -17631.13    306.63877    306.63877    43887.644    43887.644    1818.3346    1818.3346 
Loop time of 35.452 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.437 ns/day, 9.848 hours/ns, 28.207 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    | 35.032     | 35.032     | 35.032     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066989   | 0.066989   | 0.066989   |   0.0 |  0.19
Output  | 9.8736e-05 | 9.8736e-05 | 9.8736e-05 |   0.0 |  0.00
Modify  | 0.30435    | 0.30435    | 0.30435    |   0.0 |  0.86
Other   |            | 0.04862    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888042.0 ave      888042 max      888042 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888042
Ave neighs/atom = 222.01050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.43014877619, Press = 2.52485711251598
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -17472.625   -17472.625    -17631.13    -17631.13    306.63877    306.63877    43887.644    43887.644    1818.3346    1818.3346 
   13000     -17468.5     -17468.5   -17628.068   -17628.068    308.69631    308.69631     43894.74     43894.74    1629.8532    1629.8532 
Loop time of 35.1188 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.460 ns/day, 9.755 hours/ns, 28.475 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 34.706     | 34.706     | 34.706     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065754   | 0.065754   | 0.065754   |   0.0 |  0.19
Output  | 9.981e-05  | 9.981e-05  | 9.981e-05  |   0.0 |  0.00
Modify  | 0.29968    | 0.29968    | 0.29968    |   0.0 |  0.85
Other   |            | 0.04759    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888828.0 ave      888828 max      888828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888828
Ave neighs/atom = 222.20700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.541005602422, Press = -7.51011064479976
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000     -17468.5     -17468.5   -17628.068   -17628.068    308.69631    308.69631     43894.74     43894.74    1629.8532    1629.8532 
   14000   -17471.263   -17471.263   -17630.751   -17630.751    308.54088    308.54088    43954.645    43954.645   -890.25737   -890.25737 
Loop time of 33.7739 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.558 ns/day, 9.382 hours/ns, 29.609 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    | 33.381     | 33.381     | 33.381     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062931   | 0.062931   | 0.062931   |   0.0 |  0.19
Output  | 7.3056e-05 | 7.3056e-05 | 7.3056e-05 |   0.0 |  0.00
Modify  | 0.28526    | 0.28526    | 0.28526    |   0.0 |  0.84
Other   |            | 0.04433    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888214.0 ave      888214 max      888214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888214
Ave neighs/atom = 222.05350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.541968103131, Press = -6.71109662173132
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -17471.263   -17471.263   -17630.751   -17630.751    308.54088    308.54088    43954.645    43954.645   -890.25737   -890.25737 
   15000   -17468.634   -17468.634   -17629.471   -17629.471    311.15045    311.15045    43955.278    43955.278   -697.62019   -697.62019 
Loop time of 40.1907 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.150 ns/day, 11.164 hours/ns, 24.881 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.724     | 39.724     | 39.724     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074342   | 0.074342   | 0.074342   |   0.0 |  0.18
Output  | 0.00012055 | 0.00012055 | 0.00012055 |   0.0 |  0.00
Modify  | 0.34012    | 0.34012    | 0.34012    |   0.0 |  0.85
Other   |            | 0.05211    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888016.0 ave      888016 max      888016 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888016
Ave neighs/atom = 222.00400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.507257987449, Press = -2.06940064951718
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -17468.634   -17468.634   -17629.471   -17629.471    311.15045    311.15045    43955.278    43955.278   -697.62019   -697.62019 
   16000   -17469.882   -17469.882   -17629.911   -17629.911    309.58661    309.58661    43930.031    43930.031    289.15007    289.15007 
Loop time of 37.3845 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.311 ns/day, 10.385 hours/ns, 26.749 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    | 36.95      | 36.95      | 36.95      |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06877    | 0.06877    | 0.06877    |   0.0 |  0.18
Output  | 9.9279e-05 | 9.9279e-05 | 9.9279e-05 |   0.0 |  0.00
Modify  | 0.31647    | 0.31647    | 0.31647    |   0.0 |  0.85
Other   |            | 0.04899    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887566.0 ave      887566 max      887566 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887566
Ave neighs/atom = 221.89150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.410143446483, Press = -0.359232694331421
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -17469.882   -17469.882   -17629.911   -17629.911    309.58661    309.58661    43930.031    43930.031    289.15007    289.15007 
   17000    -17466.36    -17466.36   -17629.104   -17629.104    314.83913    314.83913    43911.692    43911.692     1105.302     1105.302 
Loop time of 33.9725 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.543 ns/day, 9.437 hours/ns, 29.436 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.573     | 33.573     | 33.573     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063135   | 0.063135   | 0.063135   |   0.0 |  0.19
Output  | 7.2044e-05 | 7.2044e-05 | 7.2044e-05 |   0.0 |  0.00
Modify  | 0.2918     | 0.2918     | 0.2918     |   0.0 |  0.86
Other   |            | 0.04469    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888048.0 ave      888048 max      888048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888048
Ave neighs/atom = 222.01200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.315263202398, Press = -2.11886531921449
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000    -17466.36    -17466.36   -17629.104   -17629.104    314.83913    314.83913    43911.692    43911.692     1105.302     1105.302 
   18000   -17471.959   -17471.959   -17632.154   -17632.154    309.90935    309.90935    43900.157    43900.157      1378.66      1378.66 
Loop time of 33.9734 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.543 ns/day, 9.437 hours/ns, 29.435 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.577     | 33.577     | 33.577     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062664   | 0.062664   | 0.062664   |   0.0 |  0.18
Output  | 9.8109e-05 | 9.8109e-05 | 9.8109e-05 |   0.0 |  0.00
Modify  | 0.28875    | 0.28875    | 0.28875    |   0.0 |  0.85
Other   |            | 0.04486    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888022.0 ave      888022 max      888022 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888022
Ave neighs/atom = 222.00550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.353115243495, Press = -5.4868928261856
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -17471.959   -17471.959   -17632.154   -17632.154    309.90935    309.90935    43900.157    43900.157      1378.66      1378.66 
   19000   -17466.436   -17466.436    -17630.12    -17630.12    316.65781    316.65781    43993.884    43993.884   -2047.3426   -2047.3426 
Loop time of 38.2691 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.258 ns/day, 10.630 hours/ns, 26.131 timesteps/s
99.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.822     | 37.822     | 37.822     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070511   | 0.070511   | 0.070511   |   0.0 |  0.18
Output  | 9.4772e-05 | 9.4772e-05 | 9.4772e-05 |   0.0 |  0.00
Modify  | 0.32563    | 0.32563    | 0.32563    |   0.0 |  0.85
Other   |            | 0.05057    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888470.0 ave      888470 max      888470 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888470
Ave neighs/atom = 222.11750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.253341031235, Press = -7.30504895158199
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -17466.436   -17466.436    -17630.12    -17630.12    316.65781    316.65781    43993.884    43993.884   -2047.3426   -2047.3426 
   20000   -17467.529   -17467.529   -17627.175   -17627.175     308.8451     308.8451    43979.981    43979.981   -1530.9943   -1530.9943 
Loop time of 35.592 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.428 ns/day, 9.887 hours/ns, 28.096 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    | 35.175     | 35.175     | 35.175     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066214   | 0.066214   | 0.066214   |   0.0 |  0.19
Output  | 0.00014603 | 0.00014603 | 0.00014603 |   0.0 |  0.00
Modify  | 0.30365    | 0.30365    | 0.30365    |   0.0 |  0.85
Other   |            | 0.04732    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887010.0 ave      887010 max      887010 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887010
Ave neighs/atom = 221.75250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.192167141254, Press = -0.175319501257918
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -17467.529   -17467.529   -17627.175   -17627.175     308.8451     308.8451    43979.981    43979.981   -1530.9943   -1530.9943 
   21000    -17468.32    -17468.32   -17628.125   -17628.125    309.15296    309.15296    43921.428    43921.428     779.9681     779.9681 
Loop time of 34.2714 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.521 ns/day, 9.520 hours/ns, 29.179 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.874     | 33.874     | 33.874     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062866   | 0.062866   | 0.062866   |   0.0 |  0.18
Output  | 0.00024608 | 0.00024608 | 0.00024608 |   0.0 |  0.00
Modify  | 0.2896     | 0.2896     | 0.2896     |   0.0 |  0.85
Other   |            | 0.04447    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887266.0 ave      887266 max      887266 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887266
Ave neighs/atom = 221.81650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.172925748497, Press = 0.0288555906345428
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000    -17468.32    -17468.32   -17628.125   -17628.125    309.15296    309.15296    43921.428    43921.428     779.9681     779.9681 
   22000    -17474.15    -17474.15   -17634.797   -17634.797    310.78282    310.78282    43897.465    43897.465    1256.8374    1256.8374 
Loop time of 34.3558 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.515 ns/day, 9.543 hours/ns, 29.107 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.951     | 33.951     | 33.951     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063848   | 0.063848   | 0.063848   |   0.0 |  0.19
Output  | 0.00010285 | 0.00010285 | 0.00010285 |   0.0 |  0.00
Modify  | 0.2954     | 0.2954     | 0.2954     |   0.0 |  0.86
Other   |            | 0.04511    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888164.0 ave      888164 max      888164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888164
Ave neighs/atom = 222.04100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.207205978084, Press = -2.79413541266403
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000    -17474.15    -17474.15   -17634.797   -17634.797    310.78282    310.78282    43897.465    43897.465    1256.8374    1256.8374 
   23000    -17467.85    -17467.85   -17629.375   -17629.375     312.4808     312.4808    43945.669    43945.669   -371.91978   -371.91978 
Loop time of 34.9271 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.474 ns/day, 9.702 hours/ns, 28.631 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 34.517     | 34.517     | 34.517     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065383   | 0.065383   | 0.065383   |   0.0 |  0.19
Output  | 9.5495e-05 | 9.5495e-05 | 9.5495e-05 |   0.0 |  0.00
Modify  | 0.29895    | 0.29895    | 0.29895    |   0.0 |  0.86
Other   |            | 0.04593    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888570.0 ave      888570 max      888570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888570
Ave neighs/atom = 222.14250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.141518848794, Press = -4.07448713964045
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000    -17467.85    -17467.85   -17629.375   -17629.375     312.4808     312.4808    43945.669    43945.669   -371.91978   -371.91978 
   24000   -17470.612   -17470.612    -17630.08    -17630.08    308.50249    308.50249    43974.492    43974.492   -1494.8268   -1494.8268 
Loop time of 35.1577 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.457 ns/day, 9.766 hours/ns, 28.443 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    | 34.747     | 34.747     | 34.747     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065182   | 0.065182   | 0.065182   |   0.0 |  0.19
Output  | 9.7484e-05 | 9.7484e-05 | 9.7484e-05 |   0.0 |  0.00
Modify  | 0.29893    | 0.29893    | 0.29893    |   0.0 |  0.85
Other   |            | 0.04653    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887568.0 ave      887568 max      887568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887568
Ave neighs/atom = 221.89200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.187062478277, Press = -2.15582786813961
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -17470.612   -17470.612    -17630.08    -17630.08    308.50249    308.50249    43974.492    43974.492   -1494.8268   -1494.8268 
   25000   -17467.082   -17467.082   -17628.215   -17628.215    311.72237    311.72237      43950.2      43950.2   -457.68819   -457.68819 
Loop time of 34.5587 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.500 ns/day, 9.600 hours/ns, 28.936 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    | 34.154     | 34.154     | 34.154     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064016   | 0.064016   | 0.064016   |   0.0 |  0.19
Output  | 9.7812e-05 | 9.7812e-05 | 9.7812e-05 |   0.0 |  0.00
Modify  | 0.29479    | 0.29479    | 0.29479    |   0.0 |  0.85
Other   |            | 0.04558    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887408.0 ave      887408 max      887408 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887408
Ave neighs/atom = 221.85200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.221564610956, Press = 1.60220304840991
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -17467.082   -17467.082   -17628.215   -17628.215    311.72237    311.72237      43950.2      43950.2   -457.68819   -457.68819 
   26000   -17472.653   -17472.653   -17633.191   -17633.191     310.5708     310.5708    43861.375    43861.375    2870.9922    2870.9922 
Loop time of 34.2 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.526 ns/day, 9.500 hours/ns, 29.240 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    | 33.797     | 33.797     | 33.797     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063596   | 0.063596   | 0.063596   |   0.0 |  0.19
Output  | 7.9631e-05 | 7.9631e-05 | 7.9631e-05 |   0.0 |  0.00
Modify  | 0.29372    | 0.29372    | 0.29372    |   0.0 |  0.86
Other   |            | 0.04514    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887602.0 ave      887602 max      887602 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887602
Ave neighs/atom = 221.90050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.202890671743, Press = -0.0482621158506189
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -17472.653   -17472.653   -17633.191   -17633.191     310.5708     310.5708    43861.375    43861.375    2870.9922    2870.9922 
   27000    -17466.89    -17466.89   -17632.192   -17632.192    319.78855    319.78855    43910.492    43910.492    1009.7007    1009.7007 
Loop time of 34.6246 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.495 ns/day, 9.618 hours/ns, 28.881 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    | 34.222     | 34.222     | 34.222     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063903   | 0.063903   | 0.063903   |   0.0 |  0.18
Output  | 9.8469e-05 | 9.8469e-05 | 9.8469e-05 |   0.0 |  0.00
Modify  | 0.29294    | 0.29294    | 0.29294    |   0.0 |  0.85
Other   |            | 0.04564    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      889124.0 ave      889124 max      889124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 889124
Ave neighs/atom = 222.28100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.234034615579, Press = -3.94110689850516
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000    -17466.89    -17466.89   -17632.192   -17632.192    319.78855    319.78855    43910.492    43910.492    1009.7007    1009.7007 
   28000   -17463.009   -17463.009   -17627.299   -17627.299    317.83012    317.83012    43960.349    43960.349   -722.29816   -722.29816 
Loop time of 35.9125 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.406 ns/day, 9.976 hours/ns, 27.845 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    | 35.499     | 35.499     | 35.499     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065515   | 0.065515   | 0.065515   |   0.0 |  0.18
Output  | 0.00010123 | 0.00010123 | 0.00010123 |   0.0 |  0.00
Modify  | 0.30182    | 0.30182    | 0.30182    |   0.0 |  0.84
Other   |            | 0.04656    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888366.0 ave      888366 max      888366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888366
Ave neighs/atom = 222.09150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.299003518392, Press = -2.14494951516359
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -17463.009   -17463.009   -17627.299   -17627.299    317.83012    317.83012    43960.349    43960.349   -722.29816   -722.29816 
   29000   -17466.816   -17466.816   -17629.343   -17629.343    314.41937    314.41937    43952.129    43952.129    -582.6532    -582.6532 
Loop time of 34.3123 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.518 ns/day, 9.531 hours/ns, 29.144 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    | 33.911     | 33.911     | 33.911     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064465   | 0.064465   | 0.064465   |   0.0 |  0.19
Output  | 8.2775e-05 | 8.2775e-05 | 8.2775e-05 |   0.0 |  0.00
Modify  | 0.29191    | 0.29191    | 0.29191    |   0.0 |  0.85
Other   |            | 0.04494    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887486.0 ave      887486 max      887486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887486
Ave neighs/atom = 221.87150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.391722575516, Press = -0.646379620425625
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -17466.816   -17466.816   -17629.343   -17629.343    314.41937    314.41937    43952.129    43952.129    -582.6532    -582.6532 
   30000   -17467.062   -17467.062   -17630.465   -17630.465    316.11337    316.11337    43919.489    43919.489    605.92767    605.92767 
Loop time of 35.1858 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.456 ns/day, 9.774 hours/ns, 28.421 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 34.771     | 34.771     | 34.771     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065498   | 0.065498   | 0.065498   |   0.0 |  0.19
Output  | 9.731e-05  | 9.731e-05  | 9.731e-05  |   0.0 |  0.00
Modify  | 0.30251    | 0.30251    | 0.30251    |   0.0 |  0.86
Other   |            | 0.04702    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887730.0 ave      887730 max      887730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887730
Ave neighs/atom = 221.93250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.409369126649, Press = -0.172731968044063
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -17467.062   -17467.062   -17630.465   -17630.465    316.11337    316.11337    43919.489    43919.489    605.92767    605.92767 
   31000   -17468.904   -17468.904   -17630.909   -17630.909     313.4093     313.4093    43875.647    43875.647    2295.2231    2295.2231 
Loop time of 33.8264 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.554 ns/day, 9.396 hours/ns, 29.563 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    | 33.43      | 33.43      | 33.43      |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06253    | 0.06253    | 0.06253    |   0.0 |  0.18
Output  | 7.2672e-05 | 7.2672e-05 | 7.2672e-05 |   0.0 |  0.00
Modify  | 0.28788    | 0.28788    | 0.28788    |   0.0 |  0.85
Other   |            | 0.04616    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888086.0 ave      888086 max      888086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888086
Ave neighs/atom = 222.02150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.510844087615, Press = -2.06409673334815
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -17468.904   -17468.904   -17630.909   -17630.909     313.4093     313.4093    43875.647    43875.647    2295.2231    2295.2231 
   32000   -17462.913   -17462.913   -17630.216   -17630.216    323.65885    323.65885    43957.723    43957.723    -783.3203    -783.3203 
Loop time of 33.6941 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.564 ns/day, 9.359 hours/ns, 29.679 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.303     | 33.303     | 33.303     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062075   | 0.062075   | 0.062075   |   0.0 |  0.18
Output  | 9.9655e-05 | 9.9655e-05 | 9.9655e-05 |   0.0 |  0.00
Modify  | 0.28484    | 0.28484    | 0.28484    |   0.0 |  0.85
Other   |            | 0.04423    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888496.0 ave      888496 max      888496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888496
Ave neighs/atom = 222.12400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.566776913351, Press = -3.93802928126202
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -17462.913   -17462.913   -17630.216   -17630.216    323.65885    323.65885    43957.723    43957.723    -783.3203    -783.3203 
   33000    -17470.58    -17470.58   -17631.299   -17631.299    310.92163    310.92163    43977.174    43977.174    -1746.409    -1746.409 
Loop time of 33.9545 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.545 ns/day, 9.432 hours/ns, 29.451 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.558     | 33.558     | 33.558     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062784   | 0.062784   | 0.062784   |   0.0 |  0.18
Output  | 9.8086e-05 | 9.8086e-05 | 9.8086e-05 |   0.0 |  0.00
Modify  | 0.28919    | 0.28919    | 0.28919    |   0.0 |  0.85
Other   |            | 0.04458    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887526.0 ave      887526 max      887526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887526
Ave neighs/atom = 221.88150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.607101285783, Press = -0.929839695875807
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000    -17470.58    -17470.58   -17631.299   -17631.299    310.92163    310.92163    43977.174    43977.174    -1746.409    -1746.409 
   34000   -17468.289   -17468.289   -17628.805   -17628.805    310.53042    310.53042     43935.98     43935.98    20.237076    20.237076 
Loop time of 33.7914 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.557 ns/day, 9.387 hours/ns, 29.593 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.399     | 33.399     | 33.399     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062425   | 0.062425   | 0.062425   |   0.0 |  0.18
Output  | 0.00010406 | 0.00010406 | 0.00010406 |   0.0 |  0.00
Modify  | 0.28631    | 0.28631    | 0.28631    |   0.0 |  0.85
Other   |            | 0.04399    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887332.0 ave      887332 max      887332 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887332
Ave neighs/atom = 221.83300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.602131282574, Press = 0.132530910139941
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -17468.289   -17468.289   -17628.805   -17628.805    310.53042    310.53042     43935.98     43935.98    20.237076    20.237076 
   35000   -17470.735   -17470.735   -17632.248   -17632.248    312.45663    312.45663    43911.692    43911.692    807.62663    807.62663 
Loop time of 33.7391 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.561 ns/day, 9.372 hours/ns, 29.639 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    | 33.347     | 33.347     | 33.347     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061753   | 0.061753   | 0.061753   |   0.0 |  0.18
Output  | 0.00010395 | 0.00010395 | 0.00010395 |   0.0 |  0.00
Modify  | 0.2858     | 0.2858     | 0.2858     |   0.0 |  0.85
Other   |            | 0.04453    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887980.0 ave      887980 max      887980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887980
Ave neighs/atom = 221.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.560983259839, Press = -0.82831052174797
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -17470.735   -17470.735   -17632.248   -17632.248    312.45663    312.45663    43911.692    43911.692    807.62663    807.62663 
   36000   -17465.008   -17465.008   -17628.602   -17628.602    316.48265    316.48265    43932.587    43932.587    262.39706    262.39706 
Loop time of 34.1039 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.533 ns/day, 9.473 hours/ns, 29.322 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    | 33.703     | 33.703     | 33.703     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06315    | 0.06315    | 0.06315    |   0.0 |  0.19
Output  | 7.2677e-05 | 7.2677e-05 | 7.2677e-05 |   0.0 |  0.00
Modify  | 0.293      | 0.293      | 0.293      |   0.0 |  0.86
Other   |            | 0.0442     |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888358.0 ave      888358 max      888358 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888358
Ave neighs/atom = 222.08950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.622373787524, Press = -1.31371811123777
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -17465.008   -17465.008   -17628.602   -17628.602    316.48265    316.48265    43932.587    43932.587    262.39706    262.39706 
   37000   -17471.746   -17471.746   -17634.485   -17634.485    314.82974    314.82974    43935.879    43935.879     -288.044     -288.044 
Loop time of 34.3913 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.512 ns/day, 9.553 hours/ns, 29.077 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.981     | 33.981     | 33.981     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06418    | 0.06418    | 0.06418    |   0.0 |  0.19
Output  | 9.5727e-05 | 9.5727e-05 | 9.5727e-05 |   0.0 |  0.00
Modify  | 0.2998     | 0.2998     | 0.2998     |   0.0 |  0.87
Other   |            | 0.04578    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887922.0 ave      887922 max      887922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887922
Ave neighs/atom = 221.98050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.658423163597, Press = -1.00672515204298
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -17471.746   -17471.746   -17634.485   -17634.485    314.82974    314.82974    43935.879    43935.879     -288.044     -288.044 
   38000   -17464.425   -17464.425    -17627.72    -17627.72    315.90558    315.90558    43938.231    43938.231    16.937832    16.937832 
Loop time of 34.8783 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.477 ns/day, 9.688 hours/ns, 28.671 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 34.472     | 34.472     | 34.472     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064497   | 0.064497   | 0.064497   |   0.0 |  0.18
Output  | 0.0001084  | 0.0001084  | 0.0001084  |   0.0 |  0.00
Modify  | 0.29626    | 0.29626    | 0.29626    |   0.0 |  0.85
Other   |            | 0.04543    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888068.0 ave      888068 max      888068 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888068
Ave neighs/atom = 222.01700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.682674630918, Press = -0.684407950488114
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -17464.425   -17464.425    -17627.72    -17627.72    315.90558    315.90558    43938.231    43938.231    16.937832    16.937832 
   39000   -17470.601   -17470.601   -17629.515   -17629.515    307.42963    307.42963    43906.497    43906.497    1007.4082    1007.4082 
Loop time of 33.7803 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.558 ns/day, 9.383 hours/ns, 29.603 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.386     | 33.386     | 33.386     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0623     | 0.0623     | 0.0623     |   0.0 |  0.18
Output  | 7.2765e-05 | 7.2765e-05 | 7.2765e-05 |   0.0 |  0.00
Modify  | 0.28763    | 0.28763    | 0.28763    |   0.0 |  0.85
Other   |            | 0.04396    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887670.0 ave      887670 max      887670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887670
Ave neighs/atom = 221.91750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.734813764198, Press = -1.46247478922217
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -17470.601   -17470.601   -17629.515   -17629.515    307.42963    307.42963    43906.497    43906.497    1007.4082    1007.4082 
   40000   -17468.636   -17468.636   -17631.491   -17631.491     315.0541     315.0541     43958.33     43958.33   -936.02785   -936.02785 
Loop time of 33.9067 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.548 ns/day, 9.419 hours/ns, 29.493 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    | 33.512     | 33.512     | 33.512     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062417   | 0.062417   | 0.062417   |   0.0 |  0.18
Output  | 9.5859e-05 | 9.5859e-05 | 9.5859e-05 |   0.0 |  0.00
Modify  | 0.28759    | 0.28759    | 0.28759    |   0.0 |  0.85
Other   |            | 0.04499    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888204.0 ave      888204 max      888204 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888204
Ave neighs/atom = 222.05100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.744821271004, Press = -2.25718393305085
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -17468.636   -17468.636   -17631.491   -17631.491     315.0541     315.0541     43958.33     43958.33   -936.02785   -936.02785 
   41000   -17472.255   -17472.255   -17632.174   -17632.174    309.37458    309.37458    43967.523    43967.523   -1355.6376   -1355.6376 
Loop time of 35.8396 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.411 ns/day, 9.955 hours/ns, 27.902 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 35.414     | 35.414     | 35.414     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067033   | 0.067033   | 0.067033   |   0.0 |  0.19
Output  | 8.817e-05  | 8.817e-05  | 8.817e-05  |   0.0 |  0.00
Modify  | 0.30987    | 0.30987    | 0.30987    |   0.0 |  0.86
Other   |            | 0.04844    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887930.0 ave      887930 max      887930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887930
Ave neighs/atom = 221.98250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.758812843412, Press = -0.628551827681658
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -17472.255   -17472.255   -17632.174   -17632.174    309.37458    309.37458    43967.523    43967.523   -1355.6376   -1355.6376 
   42000   -17467.734   -17467.734   -17631.135   -17631.135    316.10935    316.10935    43924.793    43924.793    363.63686    363.63686 
Loop time of 33.7915 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.557 ns/day, 9.387 hours/ns, 29.593 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    | 33.399     | 33.399     | 33.399     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06222    | 0.06222    | 0.06222    |   0.0 |  0.18
Output  | 9.9367e-05 | 9.9367e-05 | 9.9367e-05 |   0.0 |  0.00
Modify  | 0.286      | 0.286      | 0.286      |   0.0 |  0.85
Other   |            | 0.0443     |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887726.0 ave      887726 max      887726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887726
Ave neighs/atom = 221.93150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.796430427458, Press = 0.527809226926065
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -17467.734   -17467.734   -17631.135   -17631.135    316.10935    316.10935    43924.793    43924.793    363.63686    363.63686 
   43000   -17473.339   -17473.339   -17637.037   -17637.037    316.68442    316.68442    43838.401    43838.401     3533.155     3533.155 
Loop time of 33.6356 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.569 ns/day, 9.343 hours/ns, 29.730 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    | 33.246     | 33.246     | 33.246     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061965   | 0.061965   | 0.061965   |   0.0 |  0.18
Output  | 7.1435e-05 | 7.1435e-05 | 7.1435e-05 |   0.0 |  0.00
Modify  | 0.28356    | 0.28356    | 0.28356    |   0.0 |  0.84
Other   |            | 0.04388    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887988.0 ave      887988 max      887988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887988
Ave neighs/atom = 221.99700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.768624602563, Press = -0.668545066221927
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -17473.339   -17473.339   -17637.037   -17637.037    316.68442    316.68442    43838.401    43838.401     3533.155     3533.155 
   44000   -17465.971   -17465.971   -17629.627   -17629.627    316.60431    316.60431    43933.183    43933.183    171.11476    171.11476 
Loop time of 34.0089 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.541 ns/day, 9.447 hours/ns, 29.404 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.61      | 33.61      | 33.61      |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062681   | 0.062681   | 0.062681   |   0.0 |  0.18
Output  | 0.00010159 | 0.00010159 | 0.00010159 |   0.0 |  0.00
Modify  | 0.29049    | 0.29049    | 0.29049    |   0.0 |  0.85
Other   |            | 0.04525    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      889444.0 ave      889444 max      889444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 889444
Ave neighs/atom = 222.36100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.746475882995, Press = -2.26979323485762
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -17465.971   -17465.971   -17629.627   -17629.627    316.60431    316.60431    43933.183    43933.183    171.11476    171.11476 
   45000   -17475.123   -17475.123   -17633.279   -17633.279    305.96258    305.96258    43950.515    43950.515   -762.95741   -762.95741 
Loop time of 34.9356 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.473 ns/day, 9.704 hours/ns, 28.624 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 34.521     | 34.521     | 34.521     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065409   | 0.065409   | 0.065409   |   0.0 |  0.19
Output  | 9.8326e-05 | 9.8326e-05 | 9.8326e-05 |   0.0 |  0.00
Modify  | 0.30243    | 0.30243    | 0.30243    |   0.0 |  0.87
Other   |            | 0.04638    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888048.0 ave      888048 max      888048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888048
Ave neighs/atom = 222.01200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.73748844549, Press = -1.07497225253111
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -17475.123   -17475.123   -17633.279   -17633.279    305.96258    305.96258    43950.515    43950.515   -762.95741   -762.95741 
   46000   -17468.671   -17468.671   -17628.045   -17628.045     308.3202     308.3202    43947.824    43947.824   -387.40926   -387.40926 
Loop time of 34.1876 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.527 ns/day, 9.497 hours/ns, 29.250 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.784     | 33.784     | 33.784     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063594   | 0.063594   | 0.063594   |   0.0 |  0.19
Output  | 8.2891e-05 | 8.2891e-05 | 8.2891e-05 |   0.0 |  0.00
Modify  | 0.29545    | 0.29545    | 0.29545    |   0.0 |  0.86
Other   |            | 0.04469    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888136.0 ave      888136 max      888136 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888136
Ave neighs/atom = 222.03400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.719248071517, Press = -0.39164258260933
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -17468.671   -17468.671   -17628.045   -17628.045     308.3202     308.3202    43947.824    43947.824   -387.40926   -387.40926 
   47000   -17469.165   -17469.165   -17629.439   -17629.439    310.06196    310.06196    43913.912    43913.912    896.54423    896.54423 
Loop time of 40.4104 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.138 ns/day, 11.225 hours/ns, 24.746 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    | 39.938     | 39.938     | 39.938     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.074956   | 0.074956   | 0.074956   |   0.0 |  0.19
Output  | 0.0002262  | 0.0002262  | 0.0002262  |   0.0 |  0.00
Modify  | 0.34485    | 0.34485    | 0.34485    |   0.0 |  0.85
Other   |            | 0.05287    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887746.0 ave      887746 max      887746 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887746
Ave neighs/atom = 221.93650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.722672730804, Press = -0.0778397563425259
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -17469.165   -17469.165   -17629.439   -17629.439    310.06196    310.06196    43913.912    43913.912    896.54423    896.54423 
   48000   -17459.574   -17459.574   -17625.035   -17625.035    320.09616    320.09616     43886.45     43886.45    2286.5218    2286.5218 
Loop time of 33.8704 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.551 ns/day, 9.408 hours/ns, 29.524 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.475     | 33.475     | 33.475     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062576   | 0.062576   | 0.062576   |   0.0 |  0.18
Output  | 7.7398e-05 | 7.7398e-05 | 7.7398e-05 |   0.0 |  0.00
Modify  | 0.28812    | 0.28812    | 0.28812    |   0.0 |  0.85
Other   |            | 0.04428    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888182.0 ave      888182 max      888182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888182
Ave neighs/atom = 222.04550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.773799477879, Press = -1.76649211427547
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -17459.574   -17459.574   -17625.035   -17625.035    320.09616    320.09616     43886.45     43886.45    2286.5218    2286.5218 
   49000   -17470.754   -17470.754   -17630.917   -17630.917    309.84609    309.84609    43959.059    43959.059   -978.90401   -978.90401 
Loop time of 34.151 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.530 ns/day, 9.486 hours/ns, 29.282 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    | 33.748     | 33.748     | 33.748     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063388   | 0.063388   | 0.063388   |   0.0 |  0.19
Output  | 9.6446e-05 | 9.6446e-05 | 9.6446e-05 |   0.0 |  0.00
Modify  | 0.29375    | 0.29375    | 0.29375    |   0.0 |  0.86
Other   |            | 0.04549    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888114.0 ave      888114 max      888114 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888114
Ave neighs/atom = 222.02850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.794962274936, Press = -2.22175255831648
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -17470.754   -17470.754   -17630.917   -17630.917    309.84609    309.84609    43959.059    43959.059   -978.90401   -978.90401 
   50000   -17475.745   -17475.745   -17632.695   -17632.695    303.62947    303.62947    43964.405    43964.405   -1386.3378   -1386.3378 
Loop time of 36.2008 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.387 ns/day, 10.056 hours/ns, 27.624 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 35.776     | 35.776     | 35.776     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066873   | 0.066873   | 0.066873   |   0.0 |  0.18
Output  | 0.0001016  | 0.0001016  | 0.0001016  |   0.0 |  0.00
Modify  | 0.30788    | 0.30788    | 0.30788    |   0.0 |  0.85
Other   |            | 0.04952    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887682.0 ave      887682 max      887682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887682
Ave neighs/atom = 221.92050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.796823018186, Press = -0.384908519248674
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -17475.745   -17475.745   -17632.695   -17632.695    303.62947    303.62947    43964.405    43964.405   -1386.3378   -1386.3378 
   51000   -17467.958   -17467.958   -17629.156   -17629.156    311.84938    311.84938    43929.115    43929.115    287.08758    287.08758 
Loop time of 33.8021 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.556 ns/day, 9.389 hours/ns, 29.584 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.405     | 33.405     | 33.405     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062705   | 0.062705   | 0.062705   |   0.0 |  0.19
Output  | 9.9166e-05 | 9.9166e-05 | 9.9166e-05 |   0.0 |  0.00
Modify  | 0.29018    | 0.29018    | 0.29018    |   0.0 |  0.86
Other   |            | 0.04444    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887722.0 ave      887722 max      887722 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887722
Ave neighs/atom = 221.93050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.765789331316, Press = 0.251921835043573
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -17467.958   -17467.958   -17629.156   -17629.156    311.84938    311.84938    43929.115    43929.115    287.08758    287.08758 
   52000   -17466.597   -17466.597   -17628.611   -17628.611    313.42804    313.42804    43892.025    43892.025    1761.7132    1761.7132 
Loop time of 33.9149 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.548 ns/day, 9.421 hours/ns, 29.486 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.518     | 33.518     | 33.518     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062646   | 0.062646   | 0.062646   |   0.0 |  0.18
Output  | 9.7906e-05 | 9.7906e-05 | 9.7906e-05 |   0.0 |  0.00
Modify  | 0.29013    | 0.29013    | 0.29013    |   0.0 |  0.86
Other   |            | 0.04413    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887838.0 ave      887838 max      887838 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887838
Ave neighs/atom = 221.95950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.743241291377, Press = -0.470851780441889
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -17466.597   -17466.597   -17628.611   -17628.611    313.42804    313.42804    43892.025    43892.025    1761.7132    1761.7132 
   53000    -17469.35    -17469.35   -17629.998   -17629.998    310.78475    310.78475    43924.633    43924.633    506.50817    506.50817 
Loop time of 33.6489 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.568 ns/day, 9.347 hours/ns, 29.719 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.259     | 33.259     | 33.259     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061715   | 0.061715   | 0.061715   |   0.0 |  0.18
Output  | 9.9513e-05 | 9.9513e-05 | 9.9513e-05 |   0.0 |  0.00
Modify  | 0.28503    | 0.28503    | 0.28503    |   0.0 |  0.85
Other   |            | 0.04324    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888652.0 ave      888652 max      888652 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888652
Ave neighs/atom = 222.16300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.74890682369, Press = -1.5576618360454
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000    -17469.35    -17469.35   -17629.998   -17629.998    310.78475    310.78475    43924.633    43924.633    506.50817    506.50817 
   54000   -17470.997   -17470.997   -17628.619   -17628.619    304.93119    304.93119    43980.151    43980.151   -1732.3099   -1732.3099 
Loop time of 33.6295 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.569 ns/day, 9.342 hours/ns, 29.736 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.238     | 33.238     | 33.238     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062111   | 0.062111   | 0.062111   |   0.0 |  0.18
Output  | 6.9517e-05 | 6.9517e-05 | 6.9517e-05 |   0.0 |  0.00
Modify  | 0.28518    | 0.28518    | 0.28518    |   0.0 |  0.85
Other   |            | 0.04394    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887880.0 ave      887880 max      887880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887880
Ave neighs/atom = 221.97000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.76720599994, Press = -1.37886810938975
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -17470.997   -17470.997   -17628.619   -17628.619    304.93119    304.93119    43980.151    43980.151   -1732.3099   -1732.3099 
   55000   -17471.512   -17471.512   -17630.158   -17630.158    306.91216    306.91216    43962.371    43962.371   -1204.1208   -1204.1208 
Loop time of 43.5367 on 1 procs for 1000 steps with 4000 atoms

Performance: 1.985 ns/day, 12.094 hours/ns, 22.969 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.041     | 43.041     | 43.041     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.07958    | 0.07958    | 0.07958    |   0.0 |  0.18
Output  | 9.7705e-05 | 9.7705e-05 | 9.7705e-05 |   0.0 |  0.00
Modify  | 0.36197    | 0.36197    | 0.36197    |   0.0 |  0.83
Other   |            | 0.05444    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887450.0 ave      887450 max      887450 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887450
Ave neighs/atom = 221.86250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.763409487691, Press = 0.194484159570609
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -17471.512   -17471.512   -17630.158   -17630.158    306.91216    306.91216    43962.371    43962.371   -1204.1208   -1204.1208 
   56000   -17469.625   -17469.625   -17632.096   -17632.096    314.31153    314.31153    43924.484    43924.484    312.06742    312.06742 
Loop time of 34.1975 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.527 ns/day, 9.499 hours/ns, 29.242 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.804     | 33.804     | 33.804     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062707   | 0.062707   | 0.062707   |   0.0 |  0.18
Output  | 7.4992e-05 | 7.4992e-05 | 7.4992e-05 |   0.0 |  0.00
Modify  | 0.28682    | 0.28682    | 0.28682    |   0.0 |  0.84
Other   |            | 0.04368    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887534.0 ave      887534 max      887534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887534
Ave neighs/atom = 221.88350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.765147889901, Press = -0.177121673888431
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -17469.625   -17469.625   -17632.096   -17632.096    314.31153    314.31153    43924.484    43924.484    312.06742    312.06742 
   57000   -17469.295   -17469.295   -17628.194   -17628.194    307.40022    307.40022    43920.974    43920.974    641.13364    641.13364 
Loop time of 41.878 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.063 ns/day, 11.633 hours/ns, 23.879 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.402     | 41.402     | 41.402     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.076773   | 0.076773   | 0.076773   |   0.0 |  0.18
Output  | 9.8404e-05 | 9.8404e-05 | 9.8404e-05 |   0.0 |  0.00
Modify  | 0.3479     | 0.3479     | 0.3479     |   0.0 |  0.83
Other   |            | 0.05171    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888344.0 ave      888344 max      888344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888344
Ave neighs/atom = 222.08600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.762303748799, Press = -0.830829823590953
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -17469.295   -17469.295   -17628.194   -17628.194    307.40022    307.40022    43920.974    43920.974    641.13364    641.13364 
   58000   -17468.647   -17468.647   -17631.411   -17631.411    314.87778    314.87778    43940.828    43940.828   -266.95557   -266.95557 
Loop time of 33.9957 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.541 ns/day, 9.443 hours/ns, 29.415 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.592     | 33.592     | 33.592     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06204    | 0.06204    | 0.06204    |   0.0 |  0.18
Output  | 0.00023016 | 0.00023016 | 0.00023016 |   0.0 |  0.00
Modify  | 0.29809    | 0.29809    | 0.29809    |   0.0 |  0.88
Other   |            | 0.04349    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887748.0 ave      887748 max      887748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887748
Ave neighs/atom = 221.93700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.773600033888, Press = -1.03339761708629
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -17468.647   -17468.647   -17631.411   -17631.411    314.87778    314.87778    43940.828    43940.828   -266.95557   -266.95557 
   59000   -17468.969   -17468.969   -17629.896   -17629.896    311.32528    311.32528    43956.001    43956.001   -800.83542   -800.83542 
Loop time of 39.0031 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.215 ns/day, 10.834 hours/ns, 25.639 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    | 38.558     | 38.558     | 38.558     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.071555   | 0.071555   | 0.071555   |   0.0 |  0.18
Output  | 7.0968e-05 | 7.0968e-05 | 7.0968e-05 |   0.0 |  0.00
Modify  | 0.32513    | 0.32513    | 0.32513    |   0.0 |  0.83
Other   |            | 0.04864    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887624.0 ave      887624 max      887624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887624
Ave neighs/atom = 221.90600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.777649962776, Press = -0.572234291859026
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -17468.969   -17468.969   -17629.896   -17629.896    311.32528    311.32528    43956.001    43956.001   -800.83542   -800.83542 
   60000    -17468.09    -17468.09   -17631.115   -17631.115    315.38249    315.38249    43928.345    43928.345      284.563      284.563 
Loop time of 33.9825 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.542 ns/day, 9.440 hours/ns, 29.427 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.584     | 33.584     | 33.584     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062596   | 0.062596   | 0.062596   |   0.0 |  0.18
Output  | 9.7618e-05 | 9.7618e-05 | 9.7618e-05 |   0.0 |  0.00
Modify  | 0.29069    | 0.29069    | 0.29069    |   0.0 |  0.86
Other   |            | 0.04471    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887570.0 ave      887570 max      887570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887570
Ave neighs/atom = 221.89250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.786880242236, Press = 0.24745355884412
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000    -17468.09    -17468.09   -17631.115   -17631.115    315.38249    315.38249    43928.345    43928.345      284.563      284.563 
   61000    -17470.88    -17470.88   -17631.233   -17631.233    310.21427    310.21427    43881.769    43881.769    2064.0912    2064.0912 
Loop time of 41.2171 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.096 ns/day, 11.449 hours/ns, 24.262 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.747     | 40.747     | 40.747     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075272   | 0.075272   | 0.075272   |   0.0 |  0.18
Output  | 9.5352e-05 | 9.5352e-05 | 9.5352e-05 |   0.0 |  0.00
Modify  | 0.34357    | 0.34357    | 0.34357    |   0.0 |  0.83
Other   |            | 0.05105    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888046.0 ave      888046 max      888046 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888046
Ave neighs/atom = 222.01150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.803249701593, Press = -0.635946761904514
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000    -17470.88    -17470.88   -17631.233   -17631.233    310.21427    310.21427    43881.769    43881.769    2064.0912    2064.0912 
   62000   -17466.778   -17466.778   -17630.655   -17630.655    317.03084    317.03084    43934.782    43934.782    126.36719    126.36719 
Loop time of 37.9669 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.276 ns/day, 10.546 hours/ns, 26.339 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.531     | 37.531     | 37.531     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069404   | 0.069404   | 0.069404   |   0.0 |  0.18
Output  | 7.2621e-05 | 7.2621e-05 | 7.2621e-05 |   0.0 |  0.00
Modify  | 0.31775    | 0.31775    | 0.31775    |   0.0 |  0.84
Other   |            | 0.04911    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888642.0 ave      888642 max      888642 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888642
Ave neighs/atom = 222.16050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.823820803382, Press = -1.55626813727788
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -17466.778   -17466.778   -17630.655   -17630.655    317.03084    317.03084    43934.782    43934.782    126.36719    126.36719 
   63000    -17470.24    -17470.24   -17632.112   -17632.112    313.15132    313.15132     43980.84     43980.84   -1830.7524   -1830.7524 
Loop time of 33.657 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.567 ns/day, 9.349 hours/ns, 29.712 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.266     | 33.266     | 33.266     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062043   | 0.062043   | 0.062043   |   0.0 |  0.18
Output  | 9.999e-05  | 9.999e-05  | 9.999e-05  |   0.0 |  0.00
Modify  | 0.28457    | 0.28457    | 0.28457    |   0.0 |  0.85
Other   |            | 0.04467    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888220.0 ave      888220 max      888220 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888220
Ave neighs/atom = 222.05500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.824479963473, Press = -0.887943441639786
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000    -17470.24    -17470.24   -17632.112   -17632.112    313.15132    313.15132     43980.84     43980.84   -1830.7524   -1830.7524 
   64000   -17467.817   -17467.817   -17629.316   -17629.316    312.43018    312.43018    43946.226    43946.226   -399.62592   -399.62592 
Loop time of 33.6543 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.567 ns/day, 9.348 hours/ns, 29.714 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.265     | 33.265     | 33.265     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061998   | 0.061998   | 0.061998   |   0.0 |  0.18
Output  | 9.8202e-05 | 9.8202e-05 | 9.8202e-05 |   0.0 |  0.00
Modify  | 0.28391    | 0.28391    | 0.28391    |   0.0 |  0.84
Other   |            | 0.04353    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887754.0 ave      887754 max      887754 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887754
Ave neighs/atom = 221.93850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.830487752262, Press = -0.146865195600554
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -17467.817   -17467.817   -17629.316   -17629.316    312.43018    312.43018    43946.226    43946.226   -399.62592   -399.62592 
   65000   -17471.336   -17471.336   -17631.804   -17631.804    310.43722    310.43722    43915.993    43915.993    708.46503    708.46503 
Loop time of 33.5433 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.576 ns/day, 9.318 hours/ns, 29.812 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.157     | 33.157     | 33.157     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061485   | 0.061485   | 0.061485   |   0.0 |  0.18
Output  | 6.8684e-05 | 6.8684e-05 | 6.8684e-05 |   0.0 |  0.00
Modify  | 0.28101    | 0.28101    | 0.28101    |   0.0 |  0.84
Other   |            | 0.04358    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887782.0 ave      887782 max      887782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887782
Ave neighs/atom = 221.94550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.841298069017, Press = -0.39830206528725
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -17471.336   -17471.336   -17631.804   -17631.804    310.43722    310.43722    43915.993    43915.993    708.46503    708.46503 
   66000   -17463.543   -17463.543   -17629.812   -17629.812     321.6592     321.6592    43926.516    43926.516    496.28659    496.28659 
Loop time of 33.9057 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.548 ns/day, 9.418 hours/ns, 29.494 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.511     | 33.511     | 33.511     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062619   | 0.062619   | 0.062619   |   0.0 |  0.18
Output  | 9.6285e-05 | 9.6285e-05 | 9.6285e-05 |   0.0 |  0.00
Modify  | 0.28753    | 0.28753    | 0.28753    |   0.0 |  0.85
Other   |            | 0.04442    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888316.0 ave      888316 max      888316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888316
Ave neighs/atom = 222.07900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.86611429226, Press = -0.977862048146956
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -17463.543   -17463.543   -17629.812   -17629.812     321.6592     321.6592    43926.516    43926.516    496.28659    496.28659 
   67000   -17467.786   -17467.786   -17628.897   -17628.897    311.68037    311.68037    43976.105    43976.105   -1545.1625   -1545.1625 
Loop time of 39.3479 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.196 ns/day, 10.930 hours/ns, 25.414 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 38.9       | 38.9       | 38.9       |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.071609   | 0.071609   | 0.071609   |   0.0 |  0.18
Output  | 7.2259e-05 | 7.2259e-05 | 7.2259e-05 |   0.0 |  0.00
Modify  | 0.32682    | 0.32682    | 0.32682    |   0.0 |  0.83
Other   |            | 0.0492     |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887810.0 ave      887810 max      887810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887810
Ave neighs/atom = 221.95250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.874254038885, Press = -1.03045062417334
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -17467.786   -17467.786   -17628.897   -17628.897    311.68037    311.68037    43976.105    43976.105   -1545.1625   -1545.1625 
   68000   -17469.305   -17469.305   -17629.524   -17629.524    309.95549    309.95549    43983.411    43983.411   -1840.1895   -1840.1895 
Loop time of 34.2987 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.519 ns/day, 9.527 hours/ns, 29.156 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.901     | 33.901     | 33.901     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06326    | 0.06326    | 0.06326    |   0.0 |  0.18
Output  | 9.7232e-05 | 9.7232e-05 | 9.7232e-05 |   0.0 |  0.00
Modify  | 0.2902     | 0.2902     | 0.2902     |   0.0 |  0.85
Other   |            | 0.04437    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887354.0 ave      887354 max      887354 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887354
Ave neighs/atom = 221.83850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.900410171057, Press = 0.594490460707612
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -17469.305   -17469.305   -17629.524   -17629.524    309.95549    309.95549    43983.411    43983.411   -1840.1895   -1840.1895 
   69000   -17465.956   -17465.956   -17630.268   -17630.268    317.87343    317.87343    43899.547    43899.547    1535.4115    1535.4115 
Loop time of 33.7909 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.557 ns/day, 9.386 hours/ns, 29.594 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.397     | 33.397     | 33.397     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062305   | 0.062305   | 0.062305   |   0.0 |  0.18
Output  | 9.5538e-05 | 9.5538e-05 | 9.5538e-05 |   0.0 |  0.00
Modify  | 0.2875     | 0.2875     | 0.2875     |   0.0 |  0.85
Other   |            | 0.04429    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887394.0 ave      887394 max      887394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887394
Ave neighs/atom = 221.84850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.913664635755, Press = 0.212287424323959
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -17465.956   -17465.956   -17630.268   -17630.268    317.87343    317.87343    43899.547    43899.547    1535.4115    1535.4115 
   70000   -17471.967   -17471.967   -17633.527   -17633.527    312.54813    312.54813    43903.158    43903.158    1069.7586    1069.7586 
Loop time of 35.5074 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.433 ns/day, 9.863 hours/ns, 28.163 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 35.097     | 35.097     | 35.097     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06538    | 0.06538    | 0.06538    |   0.0 |  0.18
Output  | 7.0959e-05 | 7.0959e-05 | 7.0959e-05 |   0.0 |  0.00
Modify  | 0.29876    | 0.29876    | 0.29876    |   0.0 |  0.84
Other   |            | 0.04641    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888396.0 ave      888396 max      888396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888396
Ave neighs/atom = 222.09900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.892125048699, Press = -0.898102588736475
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -17471.967   -17471.967   -17633.527   -17633.527    312.54813    312.54813    43903.158    43903.158    1069.7586    1069.7586 
   71000   -17468.986   -17468.986   -17630.376   -17630.376     312.2194     312.2194     43950.37     43950.37   -532.95485   -532.95485 
Loop time of 33.7046 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.563 ns/day, 9.362 hours/ns, 29.670 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.314     | 33.314     | 33.314     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061826   | 0.061826   | 0.061826   |   0.0 |  0.18
Output  | 0.0002162  | 0.0002162  | 0.0002162  |   0.0 |  0.00
Modify  | 0.28338    | 0.28338    | 0.28338    |   0.0 |  0.84
Other   |            | 0.04481    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888334.0 ave      888334 max      888334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888334
Ave neighs/atom = 222.08350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.903724321384, Press = -1.08117474279658
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -17468.986   -17468.986   -17630.376   -17630.376     312.2194     312.2194     43950.37     43950.37   -532.95485   -532.95485 
   72000   -17466.623   -17466.623   -17628.831   -17628.831     313.8028     313.8028    43979.896    43979.896   -1667.0436   -1667.0436 
Loop time of 33.6998 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.564 ns/day, 9.361 hours/ns, 29.674 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.307     | 33.307     | 33.307     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062332   | 0.062332   | 0.062332   |   0.0 |  0.18
Output  | 7.1426e-05 | 7.1426e-05 | 7.1426e-05 |   0.0 |  0.00
Modify  | 0.28563    | 0.28563    | 0.28563    |   0.0 |  0.85
Other   |            | 0.0446     |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887700.0 ave      887700 max      887700 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887700
Ave neighs/atom = 221.92500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.908734901702, Press = -0.413949365499141
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -17466.623   -17466.623   -17628.831   -17628.831     313.8028     313.8028    43979.896    43979.896   -1667.0436   -1667.0436 
   73000   -17470.315   -17470.315   -17631.855   -17631.855    312.51026    312.51026    43923.091    43923.091    383.78317    383.78317 
Loop time of 33.76 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.559 ns/day, 9.378 hours/ns, 29.621 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.366     | 33.366     | 33.366     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062281   | 0.062281   | 0.062281   |   0.0 |  0.18
Output  | 9.8771e-05 | 9.8771e-05 | 9.8771e-05 |   0.0 |  0.00
Modify  | 0.28632    | 0.28632    | 0.28632    |   0.0 |  0.85
Other   |            | 0.04507    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887448.0 ave      887448 max      887448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887448
Ave neighs/atom = 221.86200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.903997289601, Press = 0.698441919594659
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -17470.315   -17470.315   -17631.855   -17631.855    312.51026    312.51026    43923.091    43923.091    383.78317    383.78317 
   74000   -17466.072   -17466.072   -17630.337   -17630.337    317.78183    317.78183    43826.152    43826.152    4493.4719    4493.4719 
Loop time of 33.6945 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.564 ns/day, 9.360 hours/ns, 29.678 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    | 33.305     | 33.305     | 33.305     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06186    | 0.06186    | 0.06186    |   0.0 |  0.18
Output  | 9.8477e-05 | 9.8477e-05 | 9.8477e-05 |   0.0 |  0.00
Modify  | 0.28351    | 0.28351    | 0.28351    |   0.0 |  0.84
Other   |            | 0.04438    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888364.0 ave      888364 max      888364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888364
Ave neighs/atom = 222.09100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.908207960838, Press = -0.596506420793635
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -17466.072   -17466.072   -17630.337   -17630.337    317.78183    317.78183    43826.152    43826.152    4493.4719    4493.4719 
   75000   -17468.976   -17468.976   -17630.001   -17630.001    311.51373    311.51373    43934.732    43934.732    56.336839    56.336839 
Loop time of 34.0799 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.535 ns/day, 9.467 hours/ns, 29.343 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.678     | 33.678     | 33.678     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063375   | 0.063375   | 0.063375   |   0.0 |  0.19
Output  | 9.4606e-05 | 9.4606e-05 | 9.4606e-05 |   0.0 |  0.00
Modify  | 0.29321    | 0.29321    | 0.29321    |   0.0 |  0.86
Other   |            | 0.04482    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      889166.0 ave      889166 max      889166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 889166
Ave neighs/atom = 222.29150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.922898541855, Press = -1.10624317703319
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -17468.976   -17468.976   -17630.001   -17630.001    311.51373    311.51373    43934.732    43934.732    56.336839    56.336839 
   76000   -17472.679   -17472.679   -17634.008   -17634.008    312.10306    312.10306    43973.841    43973.841   -1672.2924   -1672.2924 
Loop time of 34.9471 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.472 ns/day, 9.708 hours/ns, 28.615 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 34.541     | 34.541     | 34.541     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064095   | 0.064095   | 0.064095   |   0.0 |  0.18
Output  | 9.8099e-05 | 9.8099e-05 | 9.8099e-05 |   0.0 |  0.00
Modify  | 0.29582    | 0.29582    | 0.29582    |   0.0 |  0.85
Other   |            | 0.04612    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887858.0 ave      887858 max      887858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887858
Ave neighs/atom = 221.96450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.92791377717, Press = -0.661977994936923
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -17472.679   -17472.679   -17634.008   -17634.008    312.10306    312.10306    43973.841    43973.841   -1672.2924   -1672.2924 
   77000   -17467.046   -17467.046   -17630.666   -17630.666    316.53436    316.53436    43951.945    43951.945   -499.89664   -499.89664 
Loop time of 33.6981 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.564 ns/day, 9.361 hours/ns, 29.675 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    | 33.307     | 33.307     | 33.307     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062148   | 0.062148   | 0.062148   |   0.0 |  0.18
Output  | 9.6767e-05 | 9.6767e-05 | 9.6767e-05 |   0.0 |  0.00
Modify  | 0.28505    | 0.28505    | 0.28505    |   0.0 |  0.85
Other   |            | 0.04343    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887734.0 ave      887734 max      887734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887734
Ave neighs/atom = 221.93350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.911359694405, Press = 0.12638763784311
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -17467.046   -17467.046   -17630.666   -17630.666    316.53436    316.53436    43951.945    43951.945   -499.89664   -499.89664 
   78000   -17472.113   -17472.113    -17631.65    -17631.65    308.63428    308.63428    43900.392    43900.392    1346.2625    1346.2625 
Loop time of 33.4982 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.579 ns/day, 9.305 hours/ns, 29.852 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.115     | 33.115     | 33.115     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061242   | 0.061242   | 0.061242   |   0.0 |  0.18
Output  | 9.7856e-05 | 9.7856e-05 | 9.7856e-05 |   0.0 |  0.00
Modify  | 0.27942    | 0.27942    | 0.27942    |   0.0 |  0.83
Other   |            | 0.04241    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887788.0 ave      887788 max      887788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887788
Ave neighs/atom = 221.94700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.902788057258, Press = -0.033905254277619
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -17472.113   -17472.113    -17631.65    -17631.65    308.63428    308.63428    43900.392    43900.392    1346.2625    1346.2625 
   79000   -17465.035   -17465.035    -17630.29    -17630.29    319.69763    319.69763    43913.988    43913.988    977.95601    977.95601 
Loop time of 34.1259 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.532 ns/day, 9.479 hours/ns, 29.303 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.726     | 33.726     | 33.726     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063008   | 0.063008   | 0.063008   |   0.0 |  0.18
Output  | 9.5864e-05 | 9.5864e-05 | 9.5864e-05 |   0.0 |  0.00
Modify  | 0.29283    | 0.29283    | 0.29283    |   0.0 |  0.86
Other   |            | 0.04386    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888494.0 ave      888494 max      888494 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888494
Ave neighs/atom = 222.12350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.912664305625, Press = -0.74179370445932
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -17465.035   -17465.035    -17630.29    -17630.29    319.69763    319.69763    43913.988    43913.988    977.95601    977.95601 
   80000   -17468.292   -17468.292    -17631.68    -17631.68    316.08448    316.08448    43947.745    43947.745   -371.21048   -371.21048 
Loop time of 34.1985 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.526 ns/day, 9.500 hours/ns, 29.241 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.804     | 33.804     | 33.804     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063055   | 0.063055   | 0.063055   |   0.0 |  0.18
Output  | 9.7688e-05 | 9.7688e-05 | 9.7688e-05 |   0.0 |  0.00
Modify  | 0.28757    | 0.28757    | 0.28757    |   0.0 |  0.84
Other   |            | 0.04331    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      888140.0 ave      888140 max      888140 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 888140
Ave neighs/atom = 222.03500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.929324328974, Press = -0.995313875135003
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -17468.292   -17468.292    -17631.68    -17631.68    316.08448    316.08448    43947.745    43947.745   -371.21048   -371.21048 
   81000   -17470.884   -17470.884   -17630.345   -17630.345    308.48711    308.48711    43961.994    43961.994   -976.72641   -976.72641 
Loop time of 34.3361 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.516 ns/day, 9.538 hours/ns, 29.124 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.938     | 33.938     | 33.938     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063069   | 0.063069   | 0.063069   |   0.0 |  0.18
Output  | 9.7541e-05 | 9.7541e-05 | 9.7541e-05 |   0.0 |  0.00
Modify  | 0.29038    | 0.29038    | 0.29038    |   0.0 |  0.85
Other   |            | 0.04414    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887892.0 ave      887892 max      887892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887892
Ave neighs/atom = 221.97300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.95895491743, Press = -0.508096611542613
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.4
  ghost atom cutoff = 8.4
  binsize = 4.2, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.4
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 7.005 | 7.005 | 7.005 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -17470.884   -17470.884   -17630.345   -17630.345    308.48711    308.48711    43961.994    43961.994   -976.72641   -976.72641 
   82000    -17469.79    -17469.79   -17632.864   -17632.864     315.4777     315.4777     43938.51     43938.51   -149.33916   -149.33916 
Loop time of 34.0069 on 1 procs for 1000 steps with 4000 atoms

Performance: 2.541 ns/day, 9.446 hours/ns, 29.406 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.616     | 33.616     | 33.616     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062434   | 0.062434   | 0.062434   |   0.0 |  0.18
Output  | 9.7526e-05 | 9.7526e-05 | 9.7526e-05 |   0.0 |  0.00
Modify  | 0.28509    | 0.28509    | 0.28509    |   0.0 |  0.84
Other   |            | 0.04294    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      887538.0 ave      887538 max      887538 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 887538
Ave neighs/atom = 221.88450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
43935.3253862092

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0