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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.7947813645005226*${_u_distance}
variable latticeconst_converted equal 2.7947813645005226*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.79478136450052
Lattice spacing in x,y,z = 2.7947814 2.7947814 2.7947814
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 (27.947814 27.947814 27.947814)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (27.947814 27.947814 27.947814)
  create_atoms CPU = 0.001 seconds

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

kim_interactions Cr

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

kim interactions Cr
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
pair_coeff * * Cr
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 51.9961

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 21829.4863178415    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 21829.4863178415/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 21829.4863178415/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 21829.4863178415/(1*1*${_u_distance})
variable      V0_metal equal 21829.4863178415/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 21829.4863178415*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 21829.4863178415 Angstroms^3

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

variable temp_converted equal 293.15*${_u_temperature}
variable temp_converted equal 293.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 293.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "293.15 - 0.2"
variable      T_up  equal  "293.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_820335782779_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -8213.2365   -8213.2365   -8288.9838   -8288.9838       293.15       293.15    21829.486    21829.486    3706.3286    3706.3286 
    1000   -8173.5735   -8173.5735   -8248.7849   -8248.7849    291.07589    291.07589    22357.692    22357.692    122.89474    122.89474 
Loop time of 14.4398 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.983 ns/day, 4.011 hours/ns, 69.253 timesteps/s
96.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.144     | 14.144     | 14.144     |   0.0 | 97.95
Neigh   | 0.044536   | 0.044536   | 0.044536   |   0.0 |  0.31
Comm    | 0.060287   | 0.060287   | 0.060287   |   0.0 |  0.42
Output  | 0.00020466 | 0.00020466 | 0.00020466 |   0.0 |  0.00
Modify  | 0.16116    | 0.16116    | 0.16116    |   0.0 |  1.12
Other   |            | 0.02918    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5484.00 ave        5484 max        5484 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      342008.0 ave      342008 max      342008 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 342008
Ave neighs/atom = 171.00400
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8173.5735   -8173.5735   -8248.7849   -8248.7849    291.07589    291.07589    22357.692    22357.692    122.89474    122.89474 
    2000   -8186.1751   -8186.1751   -8264.9351   -8264.9351    304.80936    304.80936    22282.773    22282.773    375.89563    375.89563 
Loop time of 14.1553 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.104 ns/day, 3.932 hours/ns, 70.645 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.912     | 13.912     | 13.912     |   0.0 | 98.28
Neigh   | 0.021031   | 0.021031   | 0.021031   |   0.0 |  0.15
Comm    | 0.045113   | 0.045113   | 0.045113   |   0.0 |  0.32
Output  | 0.00011379 | 0.00011379 | 0.00011379 |   0.0 |  0.00
Modify  | 0.15102    | 0.15102    | 0.15102    |   0.0 |  1.07
Other   |            | 0.02624    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5473.00 ave        5473 max        5473 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      345926.0 ave      345926 max      345926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 345926
Ave neighs/atom = 172.96300
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -8186.1751   -8186.1751   -8264.9351   -8264.9351    304.80936    304.80936    22282.773    22282.773    375.89563    375.89563 
    3000   -8193.6713   -8193.6713   -8268.2739   -8268.2739    288.71964    288.71964    22261.034    22261.034    647.88317    647.88317 
Loop time of 13.562 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.371 ns/day, 3.767 hours/ns, 73.735 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.339     | 13.339     | 13.339     |   0.0 | 98.36
Neigh   | 0.020733   | 0.020733   | 0.020733   |   0.0 |  0.15
Comm    | 0.041736   | 0.041736   | 0.041736   |   0.0 |  0.31
Output  | 0.00011207 | 0.00011207 | 0.00011207 |   0.0 |  0.00
Modify  | 0.13833    | 0.13833    | 0.13833    |   0.0 |  1.02
Other   |            | 0.02163    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348842.0 ave      348842 max      348842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348842
Ave neighs/atom = 174.42100
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -8193.6713   -8193.6713   -8268.2739   -8268.2739    288.71964    288.71964    22261.034    22261.034    647.88317    647.88317 
    4000    -8193.375    -8193.375   -8269.3743   -8269.3743    294.12514    294.12514    22291.865    22291.865    -2084.612    -2084.612 
Loop time of 13.7412 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.288 ns/day, 3.817 hours/ns, 72.774 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.518     | 13.518     | 13.518     |   0.0 | 98.38
Neigh   | 0.020769   | 0.020769   | 0.020769   |   0.0 |  0.15
Comm    | 0.042117   | 0.042117   | 0.042117   |   0.0 |  0.31
Output  | 0.00010758 | 0.00010758 | 0.00010758 |   0.0 |  0.00
Modify  | 0.13831    | 0.13831    | 0.13831    |   0.0 |  1.01
Other   |            | 0.02164    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349544.0 ave      349544 max      349544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349544
Ave neighs/atom = 174.77200
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000    -8193.375    -8193.375   -8269.3743   -8269.3743    294.12514    294.12514    22291.865    22291.865    -2084.612    -2084.612 
    5000   -8191.9477   -8191.9477   -8269.2131   -8269.2131     299.0249     299.0249    22280.914    22280.914   -1431.6134   -1431.6134 
Loop time of 13.5627 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.370 ns/day, 3.767 hours/ns, 73.732 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.361     | 13.361     | 13.361     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041488   | 0.041488   | 0.041488   |   0.0 |  0.31
Output  | 8.11e-05   | 8.11e-05   | 8.11e-05   |   0.0 |  0.00
Modify  | 0.13866    | 0.13866    | 0.13866    |   0.0 |  1.02
Other   |            | 0.02146    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5493.00 ave        5493 max        5493 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348950.0 ave      348950 max      348950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348950
Ave neighs/atom = 174.47500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 295.088770524853, Press = -911.018371014205
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -8191.9477   -8191.9477   -8269.2131   -8269.2131     299.0249     299.0249    22280.914    22280.914   -1431.6134   -1431.6134 
    6000   -8197.0675   -8197.0675   -8270.9141   -8270.9141    285.79395    285.79395    22226.917    22226.917    2050.2507    2050.2507 
Loop time of 13.5602 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.372 ns/day, 3.767 hours/ns, 73.745 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.355     | 13.355     | 13.355     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041523   | 0.041523   | 0.041523   |   0.0 |  0.31
Output  | 8.0501e-05 | 8.0501e-05 | 8.0501e-05 |   0.0 |  0.00
Modify  | 0.1423     | 0.1423     | 0.1423     |   0.0 |  1.05
Other   |            | 0.02157    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5496.00 ave        5496 max        5496 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349320.0 ave      349320 max      349320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349320
Ave neighs/atom = 174.66000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.225817714689, Press = -73.7766817822515
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -8197.0675   -8197.0675   -8270.9141   -8270.9141    285.79395    285.79395    22226.917    22226.917    2050.2507    2050.2507 
    7000   -8191.9586   -8191.9586   -8268.7393   -8268.7393    297.14934    297.14934    22215.998    22215.998    4131.9364    4131.9364 
Loop time of 13.5608 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.371 ns/day, 3.767 hours/ns, 73.742 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.356     | 13.356     | 13.356     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04139    | 0.04139    | 0.04139    |   0.0 |  0.31
Output  | 5.7061e-05 | 5.7061e-05 | 5.7061e-05 |   0.0 |  0.00
Modify  | 0.14219    | 0.14219    | 0.14219    |   0.0 |  1.05
Other   |            | 0.0216     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350288.0 ave      350288 max      350288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350288
Ave neighs/atom = 175.14400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.068023895336, Press = -29.897269470459
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -8191.9586   -8191.9586   -8268.7393   -8268.7393    297.14934    297.14934    22215.998    22215.998    4131.9364    4131.9364 
    8000   -8190.9871   -8190.9871   -8270.0965   -8270.0965    306.16143    306.16143    22254.823    22254.823    849.30534    849.30534 
Loop time of 13.5772 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.364 ns/day, 3.771 hours/ns, 73.653 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.372     | 13.372     | 13.372     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041511   | 0.041511   | 0.041511   |   0.0 |  0.31
Output  | 6.1358e-05 | 6.1358e-05 | 6.1358e-05 |   0.0 |  0.00
Modify  | 0.14227    | 0.14227    | 0.14227    |   0.0 |  1.05
Other   |            | 0.0217     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350056.0 ave      350056 max      350056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350056
Ave neighs/atom = 175.02800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.330214895798, Press = 7.08443140767198
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -8190.9871   -8190.9871   -8270.0965   -8270.0965    306.16143    306.16143    22254.823    22254.823    849.30534    849.30534 
    9000   -8194.5036   -8194.5036   -8268.7204   -8268.7204    287.22686    287.22686    22257.147    22257.147    772.78009    772.78009 
Loop time of 13.5951 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.355 ns/day, 3.776 hours/ns, 73.556 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.39      | 13.39      | 13.39      |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041295   | 0.041295   | 0.041295   |   0.0 |  0.30
Output  | 7.9555e-05 | 7.9555e-05 | 7.9555e-05 |   0.0 |  0.00
Modify  | 0.14217    | 0.14217    | 0.14217    |   0.0 |  1.05
Other   |            | 0.02154    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349510.0 ave      349510 max      349510 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349510
Ave neighs/atom = 174.75500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.530181460245, Press = 5.3494561376341
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -8194.5036   -8194.5036   -8268.7204   -8268.7204    287.22686    287.22686    22257.147    22257.147    772.78009    772.78009 
   10000   -8188.6151   -8188.6151   -8267.1418   -8267.1418    303.90654    303.90654    22276.169    22276.169   -430.37517   -430.37517 
Loop time of 13.5746 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.365 ns/day, 3.771 hours/ns, 73.667 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.369     | 13.369     | 13.369     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041682   | 0.041682   | 0.041682   |   0.0 |  0.31
Output  | 4.5804e-05 | 4.5804e-05 | 4.5804e-05 |   0.0 |  0.00
Modify  | 0.14216    | 0.14216    | 0.14216    |   0.0 |  1.05
Other   |            | 0.02159    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5519.00 ave        5519 max        5519 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349638.0 ave      349638 max      349638 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349638
Ave neighs/atom = 174.81900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.083217046773, Press = -2.84613569812796
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -8188.6151   -8188.6151   -8267.1418   -8267.1418    303.90654    303.90654    22276.169    22276.169   -430.37517   -430.37517 
   11000   -8193.0461   -8193.0461   -8268.8637   -8268.8637    293.42211    293.42211    22252.506    22252.506    1003.1867    1003.1867 
Loop time of 13.5676 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.368 ns/day, 3.769 hours/ns, 73.705 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.362     | 13.362     | 13.362     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0414     | 0.0414     | 0.0414     |   0.0 |  0.31
Output  | 4.9236e-05 | 4.9236e-05 | 4.9236e-05 |   0.0 |  0.00
Modify  | 0.14219    | 0.14219    | 0.14219    |   0.0 |  1.05
Other   |            | 0.0217     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5532.00 ave        5532 max        5532 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349580.0 ave      349580 max      349580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349580
Ave neighs/atom = 174.79000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.273784340535, Press = -1.44570941695818
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -8193.0461   -8193.0461   -8268.8637   -8268.8637    293.42211    293.42211    22252.506    22252.506    1003.1867    1003.1867 
   12000   -8189.9469   -8189.9469   -8267.0495   -8267.0495    298.39486    298.39486    22262.184    22262.184    1014.1927    1014.1927 
Loop time of 13.5759 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.364 ns/day, 3.771 hours/ns, 73.660 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.371     | 13.371     | 13.371     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041716   | 0.041716   | 0.041716   |   0.0 |  0.31
Output  | 4.5133e-05 | 4.5133e-05 | 4.5133e-05 |   0.0 |  0.00
Modify  | 0.14193    | 0.14193    | 0.14193    |   0.0 |  1.05
Other   |            | 0.02156    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349410.0 ave      349410 max      349410 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349410
Ave neighs/atom = 174.70500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.734434370274, Press = -0.759333410228119
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -8189.9469   -8189.9469   -8267.0495   -8267.0495    298.39486    298.39486    22262.184    22262.184    1014.1927    1014.1927 
   13000   -8191.3978   -8191.3978   -8268.4436   -8268.4436    298.17546    298.17546    22281.973    22281.973   -1161.6098   -1161.6098 
Loop time of 13.5679 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.368 ns/day, 3.769 hours/ns, 73.704 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.363     | 13.363     | 13.363     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04138    | 0.04138    | 0.04138    |   0.0 |  0.30
Output  | 7.0798e-05 | 7.0798e-05 | 7.0798e-05 |   0.0 |  0.00
Modify  | 0.14199    | 0.14199    | 0.14199    |   0.0 |  1.05
Other   |            | 0.02167    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5525.00 ave        5525 max        5525 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349422.0 ave      349422 max      349422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349422
Ave neighs/atom = 174.71100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.678105126043, Press = 6.72948509865896
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -8191.3978   -8191.3978   -8268.4436   -8268.4436    298.17546    298.17546    22281.973    22281.973   -1161.6098   -1161.6098 
   14000   -8193.5017   -8193.5017   -8268.5685   -8268.5685    290.51638    290.51638    22286.074    22286.074   -1583.7346   -1583.7346 
Loop time of 13.5704 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.367 ns/day, 3.770 hours/ns, 73.690 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.365     | 13.365     | 13.365     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041595   | 0.041595   | 0.041595   |   0.0 |  0.31
Output  | 4.5306e-05 | 4.5306e-05 | 4.5306e-05 |   0.0 |  0.00
Modify  | 0.1419     | 0.1419     | 0.1419     |   0.0 |  1.05
Other   |            | 0.02169    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5504.00 ave        5504 max        5504 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349568.0 ave      349568 max      349568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349568
Ave neighs/atom = 174.78400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.717433266636, Press = 3.20745357168649
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -8193.5017   -8193.5017   -8268.5685   -8268.5685    290.51638    290.51638    22286.074    22286.074   -1583.7346   -1583.7346 
   15000   -8189.3765   -8189.3765   -8269.5204   -8269.5204    310.16517    310.16517    22300.427    22300.427   -2882.9977   -2882.9977 
Loop time of 13.5808 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.362 ns/day, 3.772 hours/ns, 73.633 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.376     | 13.376     | 13.376     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041273   | 0.041273   | 0.041273   |   0.0 |  0.30
Output  | 4.5887e-05 | 4.5887e-05 | 4.5887e-05 |   0.0 |  0.00
Modify  | 0.14213    | 0.14213    | 0.14213    |   0.0 |  1.05
Other   |            | 0.02173    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5500.00 ave        5500 max        5500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349272.0 ave      349272 max      349272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349272
Ave neighs/atom = 174.63600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.651218556543, Press = -3.82295758747015
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -8189.3765   -8189.3765   -8269.5204   -8269.5204    310.16517    310.16517    22300.427    22300.427   -2882.9977   -2882.9977 
   16000   -8194.4351   -8194.4351   -8269.3416   -8269.3416    289.89566    289.89566    22269.048    22269.048    -625.1566    -625.1566 
Loop time of 13.5717 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.366 ns/day, 3.770 hours/ns, 73.683 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.367     | 13.367     | 13.367     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041313   | 0.041313   | 0.041313   |   0.0 |  0.30
Output  | 4.4972e-05 | 4.4972e-05 | 4.4972e-05 |   0.0 |  0.00
Modify  | 0.14218    | 0.14218    | 0.14218    |   0.0 |  1.05
Other   |            | 0.02157    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5505.00 ave        5505 max        5505 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348912.0 ave      348912 max      348912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348912
Ave neighs/atom = 174.45600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.624418309282, Press = -10.1430775005319
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -8194.4351   -8194.4351   -8269.3416   -8269.3416    289.89566    289.89566    22269.048    22269.048    -625.1566    -625.1566 
   17000   -8191.5241   -8191.5241   -8268.8928   -8268.8928    299.42457    299.42457    22268.842    22268.842    121.02528    121.02528 
Loop time of 13.5677 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.368 ns/day, 3.769 hours/ns, 73.705 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.362     | 13.362     | 13.362     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041373   | 0.041373   | 0.041373   |   0.0 |  0.30
Output  | 7.1339e-05 | 7.1339e-05 | 7.1339e-05 |   0.0 |  0.00
Modify  | 0.14216    | 0.14216    | 0.14216    |   0.0 |  1.05
Other   |            | 0.02166    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349470.0 ave      349470 max      349470 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349470
Ave neighs/atom = 174.73500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.705802998737, Press = -10.4068877519279
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -8191.5241   -8191.5241   -8268.8928   -8268.8928    299.42457    299.42457    22268.842    22268.842    121.02528    121.02528 
   18000   -8195.8731   -8195.8731   -8269.9304   -8269.9304    286.60925    286.60925    22229.285    22229.285    2870.7847    2870.7847 
Loop time of 13.5517 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.376 ns/day, 3.764 hours/ns, 73.791 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.347     | 13.347     | 13.347     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041527   | 0.041527   | 0.041527   |   0.0 |  0.31
Output  | 4.5139e-05 | 4.5139e-05 | 4.5139e-05 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  1.05
Other   |            | 0.02154    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349526.0 ave      349526 max      349526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349526
Ave neighs/atom = 174.76300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.690170848848, Press = -5.6601346092571
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -8195.8731   -8195.8731   -8269.9304   -8269.9304    286.60925    286.60925    22229.285    22229.285    2870.7847    2870.7847 
   19000    -8192.658    -8192.658   -8270.1252   -8270.1252    299.80588    299.80588    22251.343    22251.343    695.68105    695.68105 
Loop time of 13.5971 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.354 ns/day, 3.777 hours/ns, 73.545 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.391     | 13.391     | 13.391     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04148    | 0.04148    | 0.04148    |   0.0 |  0.31
Output  | 5.7063e-05 | 5.7063e-05 | 5.7063e-05 |   0.0 |  0.00
Modify  | 0.14242    | 0.14242    | 0.14242    |   0.0 |  1.05
Other   |            | 0.02176    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350224.0 ave      350224 max      350224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350224
Ave neighs/atom = 175.11200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.622950939929, Press = -4.57417218394028
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000    -8192.658    -8192.658   -8270.1252   -8270.1252    299.80588    299.80588    22251.343    22251.343    695.68105    695.68105 
   20000    -8189.834    -8189.834   -8266.7458   -8266.7458    297.65672    297.65672    22257.802    22257.802    1223.6691    1223.6691 
Loop time of 14.8258 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.828 ns/day, 4.118 hours/ns, 67.450 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.568     | 14.568     | 14.568     |   0.0 | 98.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05209    | 0.05209    | 0.05209    |   0.0 |  0.35
Output  | 6.238e-05  | 6.238e-05  | 6.238e-05  |   0.0 |  0.00
Modify  | 0.17334    | 0.17334    | 0.17334    |   0.0 |  1.17
Other   |            | 0.03246    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349592.0 ave      349592 max      349592 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349592
Ave neighs/atom = 174.79600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.640591246409, Press = -1.46502097554632
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000    -8189.834    -8189.834   -8266.7458   -8266.7458    297.65672    297.65672    22257.802    22257.802    1223.6691    1223.6691 
   21000   -8194.1996   -8194.1996   -8269.4136   -8269.4136      291.086      291.086    22242.262    22242.262    1634.8819    1634.8819 
Loop time of 14.834 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.824 ns/day, 4.121 hours/ns, 67.413 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.577     | 14.577     | 14.577     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050982   | 0.050982   | 0.050982   |   0.0 |  0.34
Output  | 6.8759e-05 | 6.8759e-05 | 6.8759e-05 |   0.0 |  0.00
Modify  | 0.17364    | 0.17364    | 0.17364    |   0.0 |  1.17
Other   |            | 0.0326     |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5491.00 ave        5491 max        5491 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349700.0 ave      349700 max      349700 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349700
Ave neighs/atom = 174.85000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.760268312481, Press = -0.768749339407114
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -8194.1996   -8194.1996   -8269.4136   -8269.4136      291.086      291.086    22242.262    22242.262    1634.8819    1634.8819 
   22000   -8191.9499   -8191.9499   -8267.8643   -8267.8643     293.7964     293.7964    22280.786    22280.786    -642.2407    -642.2407 
Loop time of 14.8229 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.829 ns/day, 4.117 hours/ns, 67.463 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    | 14.572     | 14.572     | 14.572     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050759   | 0.050759   | 0.050759   |   0.0 |  0.34
Output  | 9.4372e-05 | 9.4372e-05 | 9.4372e-05 |   0.0 |  0.00
Modify  | 0.16964    | 0.16964    | 0.16964    |   0.0 |  1.14
Other   |            | 0.03055    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349454.0 ave      349454 max      349454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349454
Ave neighs/atom = 174.72700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.830574047845, Press = 0.287907133899549
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -8191.9499   -8191.9499   -8267.8643   -8267.8643     293.7964     293.7964    22280.786    22280.786    -642.2407    -642.2407 
   23000   -8192.3995   -8192.3995   -8268.1762   -8268.1762     293.2636     293.2636    22290.852    22290.852   -2296.9171   -2296.9171 
Loop time of 14.8225 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.829 ns/day, 4.117 hours/ns, 67.465 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.566     | 14.566     | 14.566     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.051699   | 0.051699   | 0.051699   |   0.0 |  0.35
Output  | 0.00019149 | 0.00019149 | 0.00019149 |   0.0 |  0.00
Modify  | 0.17307    | 0.17307    | 0.17307    |   0.0 |  1.17
Other   |            | 0.03147    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5530.00 ave        5530 max        5530 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349542.0 ave      349542 max      349542 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349542
Ave neighs/atom = 174.77100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.724022710274, Press = 0.238587759159288
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -8192.3995   -8192.3995   -8268.1762   -8268.1762     293.2636     293.2636    22290.852    22290.852   -2296.9171   -2296.9171 
   24000   -8194.9153   -8194.9153   -8269.4066   -8269.4066    288.28906    288.28906    22273.875    22273.875   -1407.6901   -1407.6901 
Loop time of 14.8235 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.829 ns/day, 4.118 hours/ns, 67.460 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.57      | 14.57      | 14.57      |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050686   | 0.050686   | 0.050686   |   0.0 |  0.34
Output  | 9.7976e-05 | 9.7976e-05 | 9.7976e-05 |   0.0 |  0.00
Modify  | 0.17254    | 0.17254    | 0.17254    |   0.0 |  1.16
Other   |            | 0.02995    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349276.0 ave      349276 max      349276 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349276
Ave neighs/atom = 174.63800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.749392793112, Press = -4.07133314065588
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -8194.9153   -8194.9153   -8269.4066   -8269.4066    288.28906    288.28906    22273.875    22273.875   -1407.6901   -1407.6901 
   25000   -8191.1856   -8191.1856   -8267.8884   -8267.8884    296.84793    296.84793    22277.273    22277.273   -812.69198   -812.69198 
Loop time of 14.7945 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.840 ns/day, 4.110 hours/ns, 67.593 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    | 14.538     | 14.538     | 14.538     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052933   | 0.052933   | 0.052933   |   0.0 |  0.36
Output  | 9.865e-05  | 9.865e-05  | 9.865e-05  |   0.0 |  0.00
Modify  | 0.17045    | 0.17045    | 0.17045    |   0.0 |  1.15
Other   |            | 0.03304    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349182.0 ave      349182 max      349182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349182
Ave neighs/atom = 174.59100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.838133179032, Press = -3.74844282591653
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -8191.1856   -8191.1856   -8267.8884   -8267.8884    296.84793    296.84793    22277.273    22277.273   -812.69198   -812.69198 
   26000   -8194.1253   -8194.1253   -8268.4465   -8268.4465    287.63074    287.63074    22260.037    22260.037    264.08943    264.08943 
Loop time of 14.8077 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.835 ns/day, 4.113 hours/ns, 67.532 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.551     | 14.551     | 14.551     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052294   | 0.052294   | 0.052294   |   0.0 |  0.35
Output  | 9.7546e-05 | 9.7546e-05 | 9.7546e-05 |   0.0 |  0.00
Modify  | 0.17238    | 0.17238    | 0.17238    |   0.0 |  1.16
Other   |            | 0.03202    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349346.0 ave      349346 max      349346 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349346
Ave neighs/atom = 174.67300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.842105819938, Press = -7.39749965341582
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -8194.1253   -8194.1253   -8268.4465   -8268.4465    287.63074    287.63074    22260.037    22260.037    264.08943    264.08943 
   27000   -8192.7954   -8192.7954   -8267.7356   -8267.7356    290.02635    290.02635    22246.308    22246.308     2054.842     2054.842 
Loop time of 14.814 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.832 ns/day, 4.115 hours/ns, 67.504 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.568     | 14.568     | 14.568     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048997   | 0.048997   | 0.048997   |   0.0 |  0.33
Output  | 9.1514e-05 | 9.1514e-05 | 9.1514e-05 |   0.0 |  0.00
Modify  | 0.16752    | 0.16752    | 0.16752    |   0.0 |  1.13
Other   |            | 0.02935    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349540.0 ave      349540 max      349540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349540
Ave neighs/atom = 174.77000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.927071430011, Press = -2.87892909816751
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -8192.7954   -8192.7954   -8267.7356   -8267.7356    290.02635    290.02635    22246.308    22246.308     2054.842     2054.842 
   28000   -8190.0158   -8190.0158   -8269.0201   -8269.0201    305.75483    305.75483    22250.001    22250.001    1641.6105    1641.6105 
Loop time of 14.778 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.847 ns/day, 4.105 hours/ns, 67.668 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.535     | 14.535     | 14.535     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047211   | 0.047211   | 0.047211   |   0.0 |  0.32
Output  | 6.4259e-05 | 6.4259e-05 | 6.4259e-05 |   0.0 |  0.00
Modify  | 0.16927    | 0.16927    | 0.16927    |   0.0 |  1.15
Other   |            | 0.02672    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5498.00 ave        5498 max        5498 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349946.0 ave      349946 max      349946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349946
Ave neighs/atom = 174.97300
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 = 293.940849304331, Press = 0.293577431138473
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -8190.0158   -8190.0158   -8269.0201   -8269.0201    305.75483    305.75483    22250.001    22250.001    1641.6105    1641.6105 
   29000   -8194.8865   -8194.8865   -8267.5984   -8267.5984    281.40259    281.40259    22227.647    22227.647    3054.8551    3054.8551 
Loop time of 14.8222 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.829 ns/day, 4.117 hours/ns, 67.466 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.563     | 14.563     | 14.563     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052602   | 0.052602   | 0.052602   |   0.0 |  0.35
Output  | 9.3005e-05 | 9.3005e-05 | 9.3005e-05 |   0.0 |  0.00
Modify  | 0.17175    | 0.17175    | 0.17175    |   0.0 |  1.16
Other   |            | 0.03446    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349732.0 ave      349732 max      349732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349732
Ave neighs/atom = 174.86600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.822873174843, Press = 2.11199627091299
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -8194.8865   -8194.8865   -8267.5984   -8267.5984    281.40259    281.40259    22227.647    22227.647    3054.8551    3054.8551 
   30000     -8192.96     -8192.96   -8271.2941   -8271.2941    303.16125    303.16125    22259.021    22259.021    61.035407    61.035407 
Loop time of 14.8224 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.829 ns/day, 4.117 hours/ns, 67.465 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.562     | 14.562     | 14.562     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.053184   | 0.053184   | 0.053184   |   0.0 |  0.36
Output  | 6.2876e-05 | 6.2876e-05 | 6.2876e-05 |   0.0 |  0.00
Modify  | 0.17224    | 0.17224    | 0.17224    |   0.0 |  1.16
Other   |            | 0.0349     |            |       |  0.24

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349916.0 ave      349916 max      349916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349916
Ave neighs/atom = 174.95800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.763805645735, Press = 0.899837839551712
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000     -8192.96     -8192.96   -8271.2941   -8271.2941    303.16125    303.16125    22259.021    22259.021    61.035407    61.035407 
   31000   -8190.5288   -8190.5288   -8267.5908   -8267.5908    298.23778    298.23778    22252.044    22252.044    1099.4756    1099.4756 
Loop time of 14.7612 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.853 ns/day, 4.100 hours/ns, 67.745 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.516     | 14.516     | 14.516     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047174   | 0.047174   | 0.047174   |   0.0 |  0.32
Output  | 6.5852e-05 | 6.5852e-05 | 6.5852e-05 |   0.0 |  0.00
Modify  | 0.17146    | 0.17146    | 0.17146    |   0.0 |  1.16
Other   |            | 0.02613    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5530.00 ave        5530 max        5530 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349762.0 ave      349762 max      349762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349762
Ave neighs/atom = 174.88100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.683470186571, Press = 1.17918364913295
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -8190.5288   -8190.5288   -8267.5908   -8267.5908    298.23778    298.23778    22252.044    22252.044    1099.4756    1099.4756 
   32000   -8193.0267   -8193.0267   -8268.9946   -8268.9946    294.00343    294.00343    22296.444    22296.444   -2429.5962   -2429.5962 
Loop time of 14.821 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.830 ns/day, 4.117 hours/ns, 67.472 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.57      | 14.57      | 14.57      |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049949   | 0.049949   | 0.049949   |   0.0 |  0.34
Output  | 7.0282e-05 | 7.0282e-05 | 7.0282e-05 |   0.0 |  0.00
Modify  | 0.1705     | 0.1705     | 0.1705     |   0.0 |  1.15
Other   |            | 0.03015    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349846.0 ave      349846 max      349846 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349846
Ave neighs/atom = 174.92300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.690411009209, Press = -0.395089108910794
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -8193.0267   -8193.0267   -8268.9946   -8268.9946    294.00343    294.00343    22296.444    22296.444   -2429.5962   -2429.5962 
   33000   -8194.3652   -8194.3652   -8268.4973   -8268.4973     286.8987     286.8987     22264.87     22264.87   -214.37514   -214.37514 
Loop time of 14.8136 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.832 ns/day, 4.115 hours/ns, 67.506 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.555     | 14.555     | 14.555     |   0.0 | 98.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05214    | 0.05214    | 0.05214    |   0.0 |  0.35
Output  | 8.9061e-05 | 8.9061e-05 | 8.9061e-05 |   0.0 |  0.00
Modify  | 0.17253    | 0.17253    | 0.17253    |   0.0 |  1.16
Other   |            | 0.03337    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348952.0 ave      348952 max      348952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348952
Ave neighs/atom = 174.47600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.753611957866, Press = -2.93140974762294
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -8194.3652   -8194.3652   -8268.4973   -8268.4973     286.8987     286.8987     22264.87     22264.87   -214.37514   -214.37514 
   34000   -8192.3812   -8192.3812   -8268.8073   -8268.8073    295.77686    295.77686    22290.873    22290.873   -1691.4826   -1691.4826 
Loop time of 14.7944 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.840 ns/day, 4.110 hours/ns, 67.593 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    | 14.551     | 14.551     | 14.551     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047159   | 0.047159   | 0.047159   |   0.0 |  0.32
Output  | 6.5453e-05 | 6.5453e-05 | 6.5453e-05 |   0.0 |  0.00
Modify  | 0.17021    | 0.17021    | 0.17021    |   0.0 |  1.15
Other   |            | 0.02583    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349572.0 ave      349572 max      349572 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349572
Ave neighs/atom = 174.78600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.781599801537, Press = -2.13105628835511
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -8192.3812   -8192.3812   -8268.8073   -8268.8073    295.77686    295.77686    22290.873    22290.873   -1691.4826   -1691.4826 
   35000   -8193.9865   -8193.9865   -8270.0577   -8270.0577    294.40323    294.40323    22254.529    22254.529    124.09334    124.09334 
Loop time of 14.7461 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.859 ns/day, 4.096 hours/ns, 67.814 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.506     | 14.506     | 14.506     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046277   | 0.046277   | 0.046277   |   0.0 |  0.31
Output  | 6.5539e-05 | 6.5539e-05 | 6.5539e-05 |   0.0 |  0.00
Modify  | 0.16789    | 0.16789    | 0.16789    |   0.0 |  1.14
Other   |            | 0.02578    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5506.00 ave        5506 max        5506 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349298.0 ave      349298 max      349298 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349298
Ave neighs/atom = 174.64900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.85098108922, Press = -2.49499359772687
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -8193.9865   -8193.9865   -8270.0577   -8270.0577    294.40323    294.40323    22254.529    22254.529    124.09334    124.09334 
   36000   -8188.5012   -8188.5012   -8267.8987   -8267.8987    307.27666    307.27666    22260.949    22260.949    1287.3247    1287.3247 
Loop time of 14.7956 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.840 ns/day, 4.110 hours/ns, 67.588 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.55      | 14.55      | 14.55      |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048048   | 0.048048   | 0.048048   |   0.0 |  0.32
Output  | 6.4009e-05 | 6.4009e-05 | 6.4009e-05 |   0.0 |  0.00
Modify  | 0.16954    | 0.16954    | 0.16954    |   0.0 |  1.15
Other   |            | 0.02756    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349292.0 ave      349292 max      349292 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349292
Ave neighs/atom = 174.64600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.86185304464, Press = -2.52710592948406
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -8188.5012   -8188.5012   -8267.8987   -8267.8987    307.27666    307.27666    22260.949    22260.949    1287.3247    1287.3247 
   37000   -8194.7616   -8194.7616   -8269.1966   -8269.1966    288.07121    288.07121    22213.181    22213.181    4398.1033    4398.1033 
Loop time of 14.7557 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.855 ns/day, 4.099 hours/ns, 67.770 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.517     | 14.517     | 14.517     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045924   | 0.045924   | 0.045924   |   0.0 |  0.31
Output  | 8.881e-05  | 8.881e-05  | 8.881e-05  |   0.0 |  0.00
Modify  | 0.16685    | 0.16685    | 0.16685    |   0.0 |  1.13
Other   |            | 0.02557    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349668.0 ave      349668 max      349668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349668
Ave neighs/atom = 174.83400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.899065516813, Press = -0.924567778246759
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -8194.7616   -8194.7616   -8269.1966   -8269.1966    288.07121    288.07121    22213.181    22213.181    4398.1033    4398.1033 
   38000   -8190.6508   -8190.6508    -8266.652    -8266.652    294.13256    294.13256    22250.108    22250.108    2005.2288    2005.2288 
Loop time of 14.7704 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.850 ns/day, 4.103 hours/ns, 67.703 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.527     | 14.527     | 14.527     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047263   | 0.047263   | 0.047263   |   0.0 |  0.32
Output  | 6.2626e-05 | 6.2626e-05 | 6.2626e-05 |   0.0 |  0.00
Modify  | 0.16758    | 0.16758    | 0.16758    |   0.0 |  1.13
Other   |            | 0.02812    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350286.0 ave      350286 max      350286 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350286
Ave neighs/atom = 175.14300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.873084528045, Press = 1.03518862095159
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -8190.6508   -8190.6508    -8266.652    -8266.652    294.13256    294.13256    22250.108    22250.108    2005.2288    2005.2288 
   39000   -8193.7642   -8193.7642   -8267.2273   -8267.2273    284.30963    284.30963    22258.688    22258.688    1046.1169    1046.1169 
Loop time of 14.7873 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.843 ns/day, 4.108 hours/ns, 67.626 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.531     | 14.531     | 14.531     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050956   | 0.050956   | 0.050956   |   0.0 |  0.34
Output  | 6.5639e-05 | 6.5639e-05 | 6.5639e-05 |   0.0 |  0.00
Modify  | 0.172      | 0.172      | 0.172      |   0.0 |  1.16
Other   |            | 0.0334     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349938.0 ave      349938 max      349938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349938
Ave neighs/atom = 174.96900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.91992461934, Press = -0.709446763626809
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -8193.7642   -8193.7642   -8267.2273   -8267.2273    284.30963    284.30963    22258.688    22258.688    1046.1169    1046.1169 
   40000   -8189.2115   -8189.2115   -8267.1045   -8267.1045    301.45411    301.45411    22260.122    22260.122    1067.0513    1067.0513 
Loop time of 14.7322 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.865 ns/day, 4.092 hours/ns, 67.879 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    | 14.494     | 14.494     | 14.494     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04577    | 0.04577    | 0.04577    |   0.0 |  0.31
Output  | 6.1941e-05 | 6.1941e-05 | 6.1941e-05 |   0.0 |  0.00
Modify  | 0.16741    | 0.16741    | 0.16741    |   0.0 |  1.14
Other   |            | 0.02511    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5532.00 ave        5532 max        5532 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349526.0 ave      349526 max      349526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349526
Ave neighs/atom = 174.76300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.934096604926, Press = -0.942848764379554
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -8189.2115   -8189.2115   -8267.1045   -8267.1045    301.45411    301.45411    22260.122    22260.122    1067.0513    1067.0513 
   41000   -8194.6117   -8194.6117   -8268.2193   -8268.2193    284.86924    284.86924    22220.951    22220.951    3822.6479    3822.6479 
Loop time of 14.7321 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.865 ns/day, 4.092 hours/ns, 67.879 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    | 14.491     | 14.491     | 14.491     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046781   | 0.046781   | 0.046781   |   0.0 |  0.32
Output  | 8.1784e-05 | 8.1784e-05 | 8.1784e-05 |   0.0 |  0.00
Modify  | 0.16808    | 0.16808    | 0.16808    |   0.0 |  1.14
Other   |            | 0.02644    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349518.0 ave      349518 max      349518 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349518
Ave neighs/atom = 174.75900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.936027463251, Press = -1.19639250029926
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -8194.6117   -8194.6117   -8268.2193   -8268.2193    284.86924    284.86924    22220.951    22220.951    3822.6479    3822.6479 
   42000   -8191.9035   -8191.9035   -8268.7982   -8268.7982    297.59044    297.59044    22236.795    22236.795    2597.0312    2597.0312 
Loop time of 14.7464 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.859 ns/day, 4.096 hours/ns, 67.813 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.507     | 14.507     | 14.507     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045875   | 0.045875   | 0.045875   |   0.0 |  0.31
Output  | 5.974e-05  | 5.974e-05  | 5.974e-05  |   0.0 |  0.00
Modify  | 0.16796    | 0.16796    | 0.16796    |   0.0 |  1.14
Other   |            | 0.02507    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5506.00 ave        5506 max        5506 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350376.0 ave      350376 max      350376 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350376
Ave neighs/atom = 175.18800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.95815368627, Press = -0.26823610261629
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -8191.9035   -8191.9035   -8268.7982   -8268.7982    297.59044    297.59044    22236.795    22236.795    2597.0312    2597.0312 
   43000   -8195.1891   -8195.1891   -8270.4815   -8270.4815    291.38932    291.38932    22246.131    22246.131    1107.6965    1107.6965 
Loop time of 14.7842 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.844 ns/day, 4.107 hours/ns, 67.640 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.532     | 14.532     | 14.532     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050048   | 0.050048   | 0.050048   |   0.0 |  0.34
Output  | 6.3725e-05 | 6.3725e-05 | 6.3725e-05 |   0.0 |  0.00
Modify  | 0.1699     | 0.1699     | 0.1699     |   0.0 |  1.15
Other   |            | 0.03187    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5526.00 ave        5526 max        5526 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350048.0 ave      350048 max      350048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350048
Ave neighs/atom = 175.02400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.874727408483, Press = 1.05967826044295
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -8195.1891   -8195.1891   -8270.4815   -8270.4815    291.38932    291.38932    22246.131    22246.131    1107.6965    1107.6965 
   44000   -8193.0634   -8193.0634    -8269.089    -8269.089    294.22667    294.22667    22273.591    22273.591   -1229.9929   -1229.9929 
Loop time of 14.7911 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.841 ns/day, 4.109 hours/ns, 67.608 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.535     | 14.535     | 14.535     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052005   | 0.052005   | 0.052005   |   0.0 |  0.35
Output  | 5.991e-05  | 5.991e-05  | 5.991e-05  |   0.0 |  0.00
Modify  | 0.17004    | 0.17004    | 0.17004    |   0.0 |  1.15
Other   |            | 0.0342     |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5505.00 ave        5505 max        5505 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349998.0 ave      349998 max      349998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349998
Ave neighs/atom = 174.99900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.827835924888, Press = 0.454162039037589
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -8193.0634   -8193.0634    -8269.089    -8269.089    294.22667    294.22667    22273.591    22273.591   -1229.9929   -1229.9929 
   45000   -8192.3119   -8192.3119   -8268.3046   -8268.3046    294.09959    294.09959    22261.626    22261.626    398.48068    398.48068 
Loop time of 14.774 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.848 ns/day, 4.104 hours/ns, 67.687 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.527     | 14.527     | 14.527     |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048021   | 0.048021   | 0.048021   |   0.0 |  0.33
Output  | 6.3134e-05 | 6.3134e-05 | 6.3134e-05 |   0.0 |  0.00
Modify  | 0.17058    | 0.17058    | 0.17058    |   0.0 |  1.15
Other   |            | 0.02869    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5502.00 ave        5502 max        5502 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349510.0 ave      349510 max      349510 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349510
Ave neighs/atom = 174.75500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.799777409006, Press = -0.511783341664407
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -8192.3119   -8192.3119   -8268.3046   -8268.3046    294.09959    294.09959    22261.626    22261.626    398.48068    398.48068 
   46000    -8193.327    -8193.327   -8269.2088   -8269.2088    293.67043    293.67043    22260.143    22260.143    554.39682    554.39682 
Loop time of 14.7936 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.840 ns/day, 4.109 hours/ns, 67.597 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.533     | 14.533     | 14.533     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052465   | 0.052465   | 0.052465   |   0.0 |  0.35
Output  | 8.7012e-05 | 8.7012e-05 | 8.7012e-05 |   0.0 |  0.00
Modify  | 0.17247    | 0.17247    | 0.17247    |   0.0 |  1.17
Other   |            | 0.03534    |            |       |  0.24

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5524.00 ave        5524 max        5524 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349692.0 ave      349692 max      349692 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349692
Ave neighs/atom = 174.84600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.808003893879, Press = -0.832535012053429
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000    -8193.327    -8193.327   -8269.2088   -8269.2088    293.67043    293.67043    22260.143    22260.143    554.39682    554.39682 
   47000   -8189.4165   -8189.4165   -8268.1077   -8268.1077    304.54342    304.54342    22293.135    22293.135   -2050.9202   -2050.9202 
Loop time of 14.7375 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.863 ns/day, 4.094 hours/ns, 67.854 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.49      | 14.49      | 14.49      |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048545   | 0.048545   | 0.048545   |   0.0 |  0.33
Output  | 6.4062e-05 | 6.4062e-05 | 6.4062e-05 |   0.0 |  0.00
Modify  | 0.17013    | 0.17013    | 0.17013    |   0.0 |  1.15
Other   |            | 0.02847    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5506.00 ave        5506 max        5506 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349956.0 ave      349956 max      349956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349956
Ave neighs/atom = 174.97800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.794887964265, Press = -0.775529062127382
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -8189.4165   -8189.4165   -8268.1077   -8268.1077    304.54342    304.54342    22293.135    22293.135   -2050.9202   -2050.9202 
   48000   -8194.8562   -8194.8562    -8269.208    -8269.208    287.74951    287.74951    22298.181    22298.181   -2408.3371   -2408.3371 
Loop time of 14.7272 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.867 ns/day, 4.091 hours/ns, 67.902 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.487     | 14.487     | 14.487     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046264   | 0.046264   | 0.046264   |   0.0 |  0.31
Output  | 6.5614e-05 | 6.5614e-05 | 6.5614e-05 |   0.0 |  0.00
Modify  | 0.16826    | 0.16826    | 0.16826    |   0.0 |  1.14
Other   |            | 0.02536    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349094.0 ave      349094 max      349094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349094
Ave neighs/atom = 174.54700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.814301605366, Press = -1.69290396152626
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -8194.8562   -8194.8562    -8269.208    -8269.208    287.74951    287.74951    22298.181    22298.181   -2408.3371   -2408.3371 
   49000   -8190.5797   -8190.5797   -8266.0118   -8266.0118    291.92966    291.92966    22285.589    22285.589    -1116.153    -1116.153 
Loop time of 14.7354 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.863 ns/day, 4.093 hours/ns, 67.864 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.493     | 14.493     | 14.493     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046645   | 0.046645   | 0.046645   |   0.0 |  0.32
Output  | 6.4389e-05 | 6.4389e-05 | 6.4389e-05 |   0.0 |  0.00
Modify  | 0.16953    | 0.16953    | 0.16953    |   0.0 |  1.15
Other   |            | 0.02589    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349078.0 ave      349078 max      349078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349078
Ave neighs/atom = 174.53900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.840027597021, Press = -2.6877235366265
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -8190.5797   -8190.5797   -8266.0118   -8266.0118    291.92966    291.92966    22285.589    22285.589    -1116.153    -1116.153 
   50000   -8194.8129   -8194.8129   -8269.4044   -8269.4044    288.67666    288.67666    22248.937    22248.937    1073.0608    1073.0608 
Loop time of 14.7776 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.847 ns/day, 4.105 hours/ns, 67.670 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    | 14.529     | 14.529     | 14.529     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050196   | 0.050196   | 0.050196   |   0.0 |  0.34
Output  | 8.3127e-05 | 8.3127e-05 | 8.3127e-05 |   0.0 |  0.00
Modify  | 0.16713    | 0.16713    | 0.16713    |   0.0 |  1.13
Other   |            | 0.03119    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349006.0 ave      349006 max      349006 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349006
Ave neighs/atom = 174.50300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.874817532458, Press = -1.42862042663182
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -8194.8129   -8194.8129   -8269.4044   -8269.4044    288.67666    288.67666    22248.937    22248.937    1073.0608    1073.0608 
   51000   -8192.7959   -8192.7959    -8267.712    -8267.712     289.9329     289.9329    22255.273    22255.273    1122.7711    1122.7711 
Loop time of 14.7878 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.843 ns/day, 4.108 hours/ns, 67.623 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.536     | 14.536     | 14.536     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050213   | 0.050213   | 0.050213   |   0.0 |  0.34
Output  | 6.2225e-05 | 6.2225e-05 | 6.2225e-05 |   0.0 |  0.00
Modify  | 0.16842    | 0.16842    | 0.16842    |   0.0 |  1.14
Other   |            | 0.03302    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349964.0 ave      349964 max      349964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349964
Ave neighs/atom = 174.98200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.874927712798, Press = -0.417892763720028
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -8192.7959   -8192.7959    -8267.712    -8267.712     289.9329     289.9329    22255.273    22255.273    1122.7711    1122.7711 
   52000   -8190.8873   -8190.8873   -8267.5072   -8267.5072    296.52718    296.52718    22283.231    22283.231   -679.88616   -679.88616 
Loop time of 14.7941 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.840 ns/day, 4.109 hours/ns, 67.594 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    | 14.542     | 14.542     | 14.542     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050642   | 0.050642   | 0.050642   |   0.0 |  0.34
Output  | 6.0986e-05 | 6.0986e-05 | 6.0986e-05 |   0.0 |  0.00
Modify  | 0.16875    | 0.16875    | 0.16875    |   0.0 |  1.14
Other   |            | 0.03299    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349880.0 ave      349880 max      349880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349880
Ave neighs/atom = 174.94000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.857517677427, Press = 0.2033156743777
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -8190.8873   -8190.8873   -8267.5072   -8267.5072    296.52718    296.52718    22283.231    22283.231   -679.88616   -679.88616 
   53000   -8194.8194   -8194.8194   -8270.1144   -8270.1144    291.39947    291.39947    22265.625    22265.625   -403.44913   -403.44913 
Loop time of 14.7877 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.843 ns/day, 4.108 hours/ns, 67.624 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    | 14.539     | 14.539     | 14.539     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048992   | 0.048992   | 0.048992   |   0.0 |  0.33
Output  | 6.5127e-05 | 6.5127e-05 | 6.5127e-05 |   0.0 |  0.00
Modify  | 0.17088    | 0.17088    | 0.17088    |   0.0 |  1.16
Other   |            | 0.02889    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5524.00 ave        5524 max        5524 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349290.0 ave      349290 max      349290 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349290
Ave neighs/atom = 174.64500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.843289216131, Press = -1.02624404944064
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -8194.8194   -8194.8194   -8270.1144   -8270.1144    291.39947    291.39947    22265.625    22265.625   -403.44913   -403.44913 
   54000   -8190.6716   -8190.6716   -8267.9788   -8267.9788    299.18673    299.18673     22263.51     22263.51    564.87481    564.87481 
Loop time of 14.7655 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.851 ns/day, 4.102 hours/ns, 67.725 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.516     | 14.516     | 14.516     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049752   | 0.049752   | 0.049752   |   0.0 |  0.34
Output  | 9.656e-05  | 9.656e-05  | 9.656e-05  |   0.0 |  0.00
Modify  | 0.16981    | 0.16981    | 0.16981    |   0.0 |  1.15
Other   |            | 0.03032    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349372.0 ave      349372 max      349372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349372
Ave neighs/atom = 174.68600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.887022536637, Press = -1.42582629783255
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -8190.6716   -8190.6716   -8267.9788   -8267.9788    299.18673    299.18673     22263.51     22263.51    564.87481    564.87481 
   55000   -8194.2657   -8194.2657   -8270.8193   -8270.8193    296.27059    296.27059    22245.211    22245.211    1171.1163    1171.1163 
Loop time of 14.7802 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.846 ns/day, 4.106 hours/ns, 67.658 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.529     | 14.529     | 14.529     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05032    | 0.05032    | 0.05032    |   0.0 |  0.34
Output  | 6.3068e-05 | 6.3068e-05 | 6.3068e-05 |   0.0 |  0.00
Modify  | 0.17031    | 0.17031    | 0.17031    |   0.0 |  1.15
Other   |            | 0.03044    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349386.0 ave      349386 max      349386 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349386
Ave neighs/atom = 174.69300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.912227987723, Press = -0.46444786983283
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -8194.2657   -8194.2657   -8270.8193   -8270.8193    296.27059    296.27059    22245.211    22245.211    1171.1163    1171.1163 
   56000   -8189.8132   -8189.8132   -8267.7896   -8267.7896    301.77691    301.77691    22244.953    22244.953    2092.3354    2092.3354 
Loop time of 14.7654 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.852 ns/day, 4.102 hours/ns, 67.726 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.52      | 14.52      | 14.52      |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048828   | 0.048828   | 0.048828   |   0.0 |  0.33
Output  | 6.2018e-05 | 6.2018e-05 | 6.2018e-05 |   0.0 |  0.00
Modify  | 0.16762    | 0.16762    | 0.16762    |   0.0 |  1.14
Other   |            | 0.02927    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5505.00 ave        5505 max        5505 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349984.0 ave      349984 max      349984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349984
Ave neighs/atom = 174.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.938437319287, Press = -0.378069327882924
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -8189.8132   -8189.8132   -8267.7896   -8267.7896    301.77691    301.77691    22244.953    22244.953    2092.3354    2092.3354 
   57000   -8193.4874   -8193.4874   -8269.5529   -8269.5529    294.38156    294.38156    22229.178    22229.178    2619.5451    2619.5451 
Loop time of 14.8024 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.837 ns/day, 4.112 hours/ns, 67.556 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.544     | 14.544     | 14.544     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.051993   | 0.051993   | 0.051993   |   0.0 |  0.35
Output  | 6.3039e-05 | 6.3039e-05 | 6.3039e-05 |   0.0 |  0.00
Modify  | 0.1717     | 0.1717     | 0.1717     |   0.0 |  1.16
Other   |            | 0.03497    |            |       |  0.24

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349968.0 ave      349968 max      349968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349968
Ave neighs/atom = 174.98400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.944986518725, Press = -0.205633837051291
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -8193.4874   -8193.4874   -8269.5529   -8269.5529    294.38156    294.38156    22229.178    22229.178    2619.5451    2619.5451 
   58000   -8190.5645   -8190.5645   -8266.5346   -8266.5346    294.01192    294.01192    22225.784    22225.784    4437.4484    4437.4484 
Loop time of 14.7926 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.841 ns/day, 4.109 hours/ns, 67.602 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.539     | 14.539     | 14.539     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052223   | 0.052223   | 0.052223   |   0.0 |  0.35
Output  | 8.1115e-05 | 8.1115e-05 | 8.1115e-05 |   0.0 |  0.00
Modify  | 0.16841    | 0.16841    | 0.16841    |   0.0 |  1.14
Other   |            | 0.0331     |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350216.0 ave      350216 max      350216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350216
Ave neighs/atom = 175.10800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.976629990623, Press = 0.698621934172749
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -8190.5645   -8190.5645   -8266.5346   -8266.5346    294.01192    294.01192    22225.784    22225.784    4437.4484    4437.4484 
   59000   -8192.0736   -8192.0736   -8268.5833   -8268.5833    296.10043    296.10043    22258.608    22258.608    522.25335    522.25335 
Loop time of 14.7907 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.842 ns/day, 4.109 hours/ns, 67.610 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.531     | 14.531     | 14.531     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052971   | 0.052971   | 0.052971   |   0.0 |  0.36
Output  | 7.0217e-05 | 7.0217e-05 | 7.0217e-05 |   0.0 |  0.00
Modify  | 0.17149    | 0.17149    | 0.17149    |   0.0 |  1.16
Other   |            | 0.03469    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349992.0 ave      349992 max      349992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349992
Ave neighs/atom = 174.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.93710379439, Press = 0.747324152794662
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -8192.0736   -8192.0736   -8268.5833   -8268.5833    296.10043    296.10043    22258.608    22258.608    522.25335    522.25335 
   60000   -8196.1681   -8196.1681   -8269.5733   -8269.5733     284.0855     284.0855    22284.687    22284.687   -2227.9979   -2227.9979 
Loop time of 14.7598 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.854 ns/day, 4.100 hours/ns, 67.752 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.511     | 14.511     | 14.511     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048126   | 0.048126   | 0.048126   |   0.0 |  0.33
Output  | 6.2098e-05 | 6.2098e-05 | 6.2098e-05 |   0.0 |  0.00
Modify  | 0.17191    | 0.17191    | 0.17191    |   0.0 |  1.16
Other   |            | 0.02858    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349722.0 ave      349722 max      349722 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349722
Ave neighs/atom = 174.86100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.916353954087, Press = -0.510430880538686
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -8196.1681   -8196.1681   -8269.5733   -8269.5733     284.0855     284.0855    22284.687    22284.687   -2227.9979   -2227.9979 
   61000   -8192.2089   -8192.2089   -8269.0192   -8269.0192    297.26389    297.26389     22258.27     22258.27    565.04436    565.04436 
Loop time of 14.7492 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.858 ns/day, 4.097 hours/ns, 67.800 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.505     | 14.505     | 14.505     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047264   | 0.047264   | 0.047264   |   0.0 |  0.32
Output  | 6.1666e-05 | 6.1666e-05 | 6.1666e-05 |   0.0 |  0.00
Modify  | 0.16961    | 0.16961    | 0.16961    |   0.0 |  1.15
Other   |            | 0.02683    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349508.0 ave      349508 max      349508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349508
Ave neighs/atom = 174.75400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.86726564167, Press = -0.455113709312976
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -8192.2089   -8192.2089   -8269.0192   -8269.0192    297.26389    297.26389     22258.27     22258.27    565.04436    565.04436 
   62000    -8194.358    -8194.358   -8268.3015   -8268.3015    286.16904    286.16904    22264.342    22264.342    113.76164    113.76164 
Loop time of 14.782 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.845 ns/day, 4.106 hours/ns, 67.650 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.531     | 14.531     | 14.531     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050863   | 0.050863   | 0.050863   |   0.0 |  0.34
Output  | 8.9967e-05 | 8.9967e-05 | 8.9967e-05 |   0.0 |  0.00
Modify  | 0.16879    | 0.16879    | 0.16879    |   0.0 |  1.14
Other   |            | 0.03113    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5505.00 ave        5505 max        5505 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349728.0 ave      349728 max      349728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349728
Ave neighs/atom = 174.86400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.846027746201, Press = 0.0953974052829542
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000    -8194.358    -8194.358   -8268.3015   -8268.3015    286.16904    286.16904    22264.342    22264.342    113.76164    113.76164 
   63000   -8189.0575   -8189.0575   -8267.1536   -8267.1536    302.23984    302.23984    22275.908    22275.908   -285.19692   -285.19692 
Loop time of 14.7286 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.866 ns/day, 4.091 hours/ns, 67.895 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.486     | 14.486     | 14.486     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047035   | 0.047035   | 0.047035   |   0.0 |  0.32
Output  | 6.6531e-05 | 6.6531e-05 | 6.6531e-05 |   0.0 |  0.00
Modify  | 0.16918    | 0.16918    | 0.16918    |   0.0 |  1.15
Other   |            | 0.02647    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5533.00 ave        5533 max        5533 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349530.0 ave      349530 max      349530 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349530
Ave neighs/atom = 174.76500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.869162093487, Press = 0.3771601884824
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -8189.0575   -8189.0575   -8267.1536   -8267.1536    302.23984    302.23984    22275.908    22275.908   -285.19692   -285.19692 
   64000   -8194.2701   -8194.2701   -8269.4781   -8269.4781    291.06275    291.06275     22309.42     22309.42     -3388.94     -3388.94 
Loop time of 14.2958 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.044 ns/day, 3.971 hours/ns, 69.950 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.07      | 14.07      | 14.07      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04434    | 0.04434    | 0.04434    |   0.0 |  0.31
Output  | 6.0447e-05 | 6.0447e-05 | 6.0447e-05 |   0.0 |  0.00
Modify  | 0.1567     | 0.1567     | 0.1567     |   0.0 |  1.10
Other   |            | 0.02444    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349708.0 ave      349708 max      349708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349708
Ave neighs/atom = 174.85400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.882896866417, Press = -0.693177545327705
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -8194.2701   -8194.2701   -8269.4781   -8269.4781    291.06275    291.06275     22309.42     22309.42     -3388.94     -3388.94 
   65000   -8191.2548   -8191.2548   -8266.8077   -8266.8077    292.39751    292.39751    22315.419    22315.419   -3407.0179   -3407.0179 
Loop time of 13.5442 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.379 ns/day, 3.762 hours/ns, 73.832 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.342     | 13.342     | 13.342     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040549   | 0.040549   | 0.040549   |   0.0 |  0.30
Output  | 6.0003e-05 | 6.0003e-05 | 6.0003e-05 |   0.0 |  0.00
Modify  | 0.13935    | 0.13935    | 0.13935    |   0.0 |  1.03
Other   |            | 0.02187    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5497.00 ave        5497 max        5497 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348818.0 ave      348818 max      348818 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348818
Ave neighs/atom = 174.40900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.874973695854, Press = -1.01533685701484
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -8191.2548   -8191.2548   -8266.8077   -8266.8077    292.39751    292.39751    22315.419    22315.419   -3407.0179   -3407.0179 
   66000   -8194.5853   -8194.5853   -8269.7218   -8269.7218    290.78593    290.78593    22257.678    22257.678    47.218501    47.218501 
Loop time of 13.5409 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.381 ns/day, 3.761 hours/ns, 73.850 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.337     | 13.337     | 13.337     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040802   | 0.040802   | 0.040802   |   0.0 |  0.30
Output  | 8.8108e-05 | 8.8108e-05 | 8.8108e-05 |   0.0 |  0.00
Modify  | 0.14078    | 0.14078    | 0.14078    |   0.0 |  1.04
Other   |            | 0.02261    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348790.0 ave      348790 max      348790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348790
Ave neighs/atom = 174.39500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.827769801042, Press = -1.19675345690223
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -8194.5853   -8194.5853   -8269.7218   -8269.7218    290.78593    290.78593    22257.678    22257.678    47.218501    47.218501 
   67000   -8190.3988   -8190.3988   -8269.2826   -8269.2826    305.28833    305.28833    22261.176    22261.176     199.2057     199.2057 
Loop time of 13.5097 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.021 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.309     | 13.309     | 13.309     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040444   | 0.040444   | 0.040444   |   0.0 |  0.30
Output  | 6.1717e-05 | 6.1717e-05 | 6.1717e-05 |   0.0 |  0.00
Modify  | 0.1385     | 0.1385     | 0.1385     |   0.0 |  1.03
Other   |            | 0.0213     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349702.0 ave      349702 max      349702 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349702
Ave neighs/atom = 174.85100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.805587080729, Press = -0.61644473579914
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -8190.3988   -8190.3988   -8269.2826   -8269.2826    305.28833    305.28833    22261.176    22261.176     199.2057     199.2057 
   68000   -8193.5903   -8193.5903   -8269.5262   -8269.5262    293.88004    293.88004    22281.232    22281.232   -1731.6086   -1731.6086 
Loop time of 13.5131 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.754 hours/ns, 74.002 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.313     | 13.313     | 13.313     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040751   | 0.040751   | 0.040751   |   0.0 |  0.30
Output  | 6.304e-05  | 6.304e-05  | 6.304e-05  |   0.0 |  0.00
Modify  | 0.13799    | 0.13799    | 0.13799    |   0.0 |  1.02
Other   |            | 0.02144    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349444.0 ave      349444 max      349444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349444
Ave neighs/atom = 174.72200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.813588602831, Press = -1.70730771839766
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -8193.5903   -8193.5903   -8269.5262   -8269.5262    293.88004    293.88004    22281.232    22281.232   -1731.6086   -1731.6086 
   69000   -8188.6505   -8188.6505    -8266.017    -8266.017    299.41634    299.41634    22262.187    22262.187    1616.1736    1616.1736 
Loop time of 13.5255 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.935 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.325     | 13.325     | 13.325     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040866   | 0.040866   | 0.040866   |   0.0 |  0.30
Output  | 6.3114e-05 | 6.3114e-05 | 6.3114e-05 |   0.0 |  0.00
Modify  | 0.1386     | 0.1386     | 0.1386     |   0.0 |  1.02
Other   |            | 0.02128    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349124.0 ave      349124 max      349124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349124
Ave neighs/atom = 174.56200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.822090935399, Press = -0.708467510764907
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -8188.6505   -8188.6505    -8266.017    -8266.017    299.41634    299.41634    22262.187    22262.187    1616.1736    1616.1736 
   70000   -8193.8467   -8193.8467    -8269.343    -8269.343    292.17842    292.17842    22275.148    22275.148    -887.5668    -887.5668 
Loop time of 13.5398 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.381 ns/day, 3.761 hours/ns, 73.856 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.339     | 13.339     | 13.339     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040647   | 0.040647   | 0.040647   |   0.0 |  0.30
Output  | 8.9165e-05 | 8.9165e-05 | 8.9165e-05 |   0.0 |  0.00
Modify  | 0.13895    | 0.13895    | 0.13895    |   0.0 |  1.03
Other   |            | 0.02149    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349532.0 ave      349532 max      349532 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349532
Ave neighs/atom = 174.76600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.841798495499, Press = -0.710688363177403
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -8193.8467   -8193.8467    -8269.343    -8269.343    292.17842    292.17842    22275.148    22275.148    -887.5668    -887.5668 
   71000   -8192.2503   -8192.2503   -8269.8342   -8269.8342    300.25794    300.25794    22271.392    22271.392   -409.40695   -409.40695 
Loop time of 13.5253 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.935 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.324     | 13.324     | 13.324     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041038   | 0.041038   | 0.041038   |   0.0 |  0.30
Output  | 7.8066e-05 | 7.8066e-05 | 7.8066e-05 |   0.0 |  0.00
Modify  | 0.13887    | 0.13887    | 0.13887    |   0.0 |  1.03
Other   |            | 0.02162    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5519.00 ave        5519 max        5519 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349196.0 ave      349196 max      349196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349196
Ave neighs/atom = 174.59800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.87667994058, Press = -0.592620701512159
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -8192.2503   -8192.2503   -8269.8342   -8269.8342    300.25794    300.25794    22271.392    22271.392   -409.40695   -409.40695 
   72000   -8192.5342   -8192.5342   -8268.3415   -8268.3415    293.38233    293.38233    22282.958    22282.958   -1120.5124   -1120.5124 
Loop time of 14.5016 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.958 ns/day, 4.028 hours/ns, 68.958 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.264     | 14.264     | 14.264     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047011   | 0.047011   | 0.047011   |   0.0 |  0.32
Output  | 9.3643e-05 | 9.3643e-05 | 9.3643e-05 |   0.0 |  0.00
Modify  | 0.16364    | 0.16364    | 0.16364    |   0.0 |  1.13
Other   |            | 0.02667    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349388.0 ave      349388 max      349388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349388
Ave neighs/atom = 174.69400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.885823788294, Press = -0.854291900296021
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -8192.5342   -8192.5342   -8268.3415   -8268.3415    293.38233    293.38233    22282.958    22282.958   -1120.5124   -1120.5124 
   73000   -8195.9389   -8195.9389   -8270.2307   -8270.2307    287.51677    287.51677    22271.011    22271.011   -673.05598   -673.05598 
Loop time of 14.7933 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.840 ns/day, 4.109 hours/ns, 67.598 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.539     | 14.539     | 14.539     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.051832   | 0.051832   | 0.051832   |   0.0 |  0.35
Output  | 8.2132e-05 | 8.2132e-05 | 8.2132e-05 |   0.0 |  0.00
Modify  | 0.17066    | 0.17066    | 0.17066    |   0.0 |  1.15
Other   |            | 0.03207    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5496.00 ave        5496 max        5496 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349166.0 ave      349166 max      349166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349166
Ave neighs/atom = 174.58300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.883439625727, Press = -1.22567062707188
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -8195.9389   -8195.9389   -8270.2307   -8270.2307    287.51677    287.51677    22271.011    22271.011   -673.05598   -673.05598 
   74000   -8191.1249   -8191.1249   -8267.5033   -8267.5033    295.59227    295.59227    22239.951    22239.951    2533.6398    2533.6398 
Loop time of 14.824 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.828 ns/day, 4.118 hours/ns, 67.458 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.567     | 14.567     | 14.567     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.051447   | 0.051447   | 0.051447   |   0.0 |  0.35
Output  | 8.6481e-05 | 8.6481e-05 | 8.6481e-05 |   0.0 |  0.00
Modify  | 0.17193    | 0.17193    | 0.17193    |   0.0 |  1.16
Other   |            | 0.03335    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349586.0 ave      349586 max      349586 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349586
Ave neighs/atom = 174.79300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.867376147728, Press = -1.37210977108301
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -8191.1249   -8191.1249   -8267.5033   -8267.5033    295.59227    295.59227    22239.951    22239.951    2533.6398    2533.6398 
   75000   -8194.8221   -8194.8221   -8270.0164   -8270.0164    291.00994    291.00994    22223.222    22223.222    3203.4892    3203.4892 
Loop time of 14.5414 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.942 ns/day, 4.039 hours/ns, 68.769 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.311     | 14.311     | 14.311     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045784   | 0.045784   | 0.045784   |   0.0 |  0.31
Output  | 6.4978e-05 | 6.4978e-05 | 6.4978e-05 |   0.0 |  0.00
Modify  | 0.15788    | 0.15788    | 0.15788    |   0.0 |  1.09
Other   |            | 0.02666    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349916.0 ave      349916 max      349916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349916
Ave neighs/atom = 174.95800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.84015042948, Press = -0.524068097516548
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -8194.8221   -8194.8221   -8270.0164   -8270.0164    291.00994    291.00994    22223.222    22223.222    3203.4892    3203.4892 
   76000     -8188.51     -8188.51   -8265.9096   -8265.9096    299.54452    299.54452     22261.23     22261.23    1460.4706    1460.4706 
Loop time of 13.5048 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.048 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.304     | 13.304     | 13.304     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040909   | 0.040909   | 0.040909   |   0.0 |  0.30
Output  | 0.00013899 | 0.00013899 | 0.00013899 |   0.0 |  0.00
Modify  | 0.13815    | 0.13815    | 0.13815    |   0.0 |  1.02
Other   |            | 0.02168    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350232.0 ave      350232 max      350232 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350232
Ave neighs/atom = 175.11600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.847562520518, Press = -0.218871959025296
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000     -8188.51     -8188.51   -8265.9096   -8265.9096    299.54452    299.54452     22261.23     22261.23    1460.4706    1460.4706 
   77000   -8193.6087   -8193.6087   -8270.1522   -8270.1522    296.23141    296.23141      22243.3      22243.3    1607.8168    1607.8168 
Loop time of 13.5211 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.390 ns/day, 3.756 hours/ns, 73.958 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.321     | 13.321     | 13.321     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040738   | 0.040738   | 0.040738   |   0.0 |  0.30
Output  | 8.0297e-05 | 8.0297e-05 | 8.0297e-05 |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.02
Other   |            | 0.02141    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349812.0 ave      349812 max      349812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349812
Ave neighs/atom = 174.90600
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 = 293.859520373221, Press = -0.530188485170774
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -8193.6087   -8193.6087   -8270.1522   -8270.1522    296.23141    296.23141      22243.3      22243.3    1607.8168    1607.8168 
   78000    -8195.508    -8195.508   -8269.5698   -8269.5698     286.6266     286.6266    22226.657    22226.657    2463.9359    2463.9359 
Loop time of 13.5332 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.384 ns/day, 3.759 hours/ns, 73.892 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.333     | 13.333     | 13.333     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040652   | 0.040652   | 0.040652   |   0.0 |  0.30
Output  | 8.1546e-05 | 8.1546e-05 | 8.1546e-05 |   0.0 |  0.00
Modify  | 0.13799    | 0.13799    | 0.13799    |   0.0 |  1.02
Other   |            | 0.0213     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350244.0 ave      350244 max      350244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350244
Ave neighs/atom = 175.12200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.863883509017, Press = -0.632000200843308
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000    -8195.508    -8195.508   -8269.5698   -8269.5698     286.6266     286.6266    22226.657    22226.657    2463.9359    2463.9359 
   79000   -8193.0344   -8193.0344   -8268.0287   -8268.0287    290.23587    290.23587    22248.712    22248.712    2032.8766    2032.8766 
Loop time of 13.5155 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.989 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.316     | 13.316     | 13.316     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040226   | 0.040226   | 0.040226   |   0.0 |  0.30
Output  | 7.9776e-05 | 7.9776e-05 | 7.9776e-05 |   0.0 |  0.00
Modify  | 0.13798    | 0.13798    | 0.13798    |   0.0 |  1.02
Other   |            | 0.02136    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349850.0 ave      349850 max      349850 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349850
Ave neighs/atom = 174.92500
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 = 293.863665450003, Press = -0.373660193379603
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -8193.0344   -8193.0344   -8268.0287   -8268.0287    290.23587    290.23587    22248.712    22248.712    2032.8766    2032.8766 
   80000   -8195.0992   -8195.0992   -8269.3975   -8269.3975    287.54217    287.54217    22219.616    22219.616    3569.2586    3569.2586 
Loop time of 13.5085 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.396 ns/day, 3.752 hours/ns, 74.027 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.309     | 13.309     | 13.309     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040446   | 0.040446   | 0.040446   |   0.0 |  0.30
Output  | 5.8306e-05 | 5.8306e-05 | 5.8306e-05 |   0.0 |  0.00
Modify  | 0.13804    | 0.13804    | 0.13804    |   0.0 |  1.02
Other   |            | 0.02139    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5543.00 ave        5543 max        5543 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349812.0 ave      349812 max      349812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349812
Ave neighs/atom = 174.90600
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 = 293.870196486588, Press = 0.783674871972976
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -8195.0992   -8195.0992   -8269.3975   -8269.3975    287.54217    287.54217    22219.616    22219.616    3569.2586    3569.2586 
   81000   -8193.1298   -8193.1298   -8269.8383   -8269.8383    296.86954    296.86954    22234.052    22234.052    2529.1042    2529.1042 
Loop time of 13.4937 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.109 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.294     | 13.294     | 13.294     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040556   | 0.040556   | 0.040556   |   0.0 |  0.30
Output  | 7.8499e-05 | 7.8499e-05 | 7.8499e-05 |   0.0 |  0.00
Modify  | 0.1379     | 0.1379     | 0.1379     |   0.0 |  1.02
Other   |            | 0.02131    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5525.00 ave        5525 max        5525 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350324.0 ave      350324 max      350324 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350324
Ave neighs/atom = 175.16200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.853520664285, Press = 0.407257036811726
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -8193.1298   -8193.1298   -8269.8383   -8269.8383    296.86954    296.86954    22234.052    22234.052    2529.1042    2529.1042 
   82000   -8194.9366   -8194.9366    -8268.502    -8268.502    284.70565    284.70565    22228.592    22228.592    2720.7886    2720.7886 
Loop time of 13.5065 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.038 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.307     | 13.307     | 13.307     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040681   | 0.040681   | 0.040681   |   0.0 |  0.30
Output  | 5.6424e-05 | 5.6424e-05 | 5.6424e-05 |   0.0 |  0.00
Modify  | 0.13789    | 0.13789    | 0.13789    |   0.0 |  1.02
Other   |            | 0.02134    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349956.0 ave      349956 max      349956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349956
Ave neighs/atom = 174.97800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.805218477525, Press = 0.596033152128675
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -8194.9366   -8194.9366    -8268.502    -8268.502    284.70565    284.70565    22228.592    22228.592    2720.7886    2720.7886 
   83000   -8191.7388   -8191.7388   -8268.2632   -8268.2632    296.15726    296.15726    22265.771    22265.771     11.73636     11.73636 
Loop time of 13.5014 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.750 hours/ns, 74.066 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.301     | 13.301     | 13.301     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040866   | 0.040866   | 0.040866   |   0.0 |  0.30
Output  | 6.2284e-05 | 6.2284e-05 | 6.2284e-05 |   0.0 |  0.00
Modify  | 0.13793    | 0.13793    | 0.13793    |   0.0 |  1.02
Other   |            | 0.02134    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349966.0 ave      349966 max      349966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349966
Ave neighs/atom = 174.98300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.796557999854, Press = 0.0688490901452957
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -8191.7388   -8191.7388   -8268.2632   -8268.2632    296.15726    296.15726    22265.771    22265.771     11.73636     11.73636 
   84000   -8193.1188   -8193.1188   -8269.4727   -8269.4727    295.49774    295.49774    22260.249    22260.249    330.99141    330.99141 
Loop time of 13.5034 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.055 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.304     | 13.304     | 13.304     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040585   | 0.040585   | 0.040585   |   0.0 |  0.30
Output  | 5.6401e-05 | 5.6401e-05 | 5.6401e-05 |   0.0 |  0.00
Modify  | 0.13779    | 0.13779    | 0.13779    |   0.0 |  1.02
Other   |            | 0.02129    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5497.00 ave        5497 max        5497 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349656.0 ave      349656 max      349656 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349656
Ave neighs/atom = 174.82800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.782211925837, Press = 0.397404542748229
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -8193.1188   -8193.1188   -8269.4727   -8269.4727    295.49774    295.49774    22260.249    22260.249    330.99141    330.99141 
   85000   -8192.9153   -8192.9153   -8268.2027   -8268.2027     291.3697     291.3697    22277.381    22277.381   -1039.9895   -1039.9895 
Loop time of 13.4977 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.401 ns/day, 3.749 hours/ns, 74.086 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.297     | 13.297     | 13.297     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040718   | 0.040718   | 0.040718   |   0.0 |  0.30
Output  | 9.6549e-05 | 9.6549e-05 | 9.6549e-05 |   0.0 |  0.00
Modify  | 0.1381     | 0.1381     | 0.1381     |   0.0 |  1.02
Other   |            | 0.02144    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349764.0 ave      349764 max      349764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349764
Ave neighs/atom = 174.88200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.778864407541, Press = 0.0604812080989623
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -8192.9153   -8192.9153   -8268.2027   -8268.2027     291.3697     291.3697    22277.381    22277.381   -1039.9895   -1039.9895 
   86000    -8197.118    -8197.118   -8270.6014   -8270.6014    284.38826    284.38826    22249.215    22249.215    426.46536    426.46536 
Loop time of 13.5234 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.756 hours/ns, 73.946 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.323     | 13.323     | 13.323     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040641   | 0.040641   | 0.040641   |   0.0 |  0.30
Output  | 5.7851e-05 | 5.7851e-05 | 5.7851e-05 |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.02
Other   |            | 0.02139    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349362.0 ave      349362 max      349362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349362
Ave neighs/atom = 174.68100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.742163942706, Press = 0.027114782008045
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000    -8197.118    -8197.118   -8270.6014   -8270.6014    284.38826    284.38826    22249.215    22249.215    426.46536    426.46536 
   87000   -8191.7584   -8191.7584   -8268.0477   -8268.0477    295.24743    295.24743    22256.669    22256.669    920.88304    920.88304 
Loop time of 13.5246 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.940 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.325     | 13.325     | 13.325     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040536   | 0.040536   | 0.040536   |   0.0 |  0.30
Output  | 5.8281e-05 | 5.8281e-05 | 5.8281e-05 |   0.0 |  0.00
Modify  | 0.13807    | 0.13807    | 0.13807    |   0.0 |  1.02
Other   |            | 0.02139    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5533.00 ave        5533 max        5533 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349952.0 ave      349952 max      349952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349952
Ave neighs/atom = 174.97600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.721512255372, Press = 0.467357431564082
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -8191.7584   -8191.7584   -8268.0477   -8268.0477    295.24743    295.24743    22256.669    22256.669    920.88304    920.88304 
   88000   -8194.3402   -8194.3402   -8270.1679   -8270.1679    293.46093    293.46093    22265.909    22265.909   -746.55339   -746.55339 
Loop time of 13.514 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.997 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.314     | 13.314     | 13.314     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040887   | 0.040887   | 0.040887   |   0.0 |  0.30
Output  | 5.6878e-05 | 5.6878e-05 | 5.6878e-05 |   0.0 |  0.00
Modify  | 0.13787    | 0.13787    | 0.13787    |   0.0 |  1.02
Other   |            | 0.02133    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5506.00 ave        5506 max        5506 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349532.0 ave      349532 max      349532 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349532
Ave neighs/atom = 174.76600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.721706489392, Press = -0.210559140652728
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -8194.3402   -8194.3402   -8270.1679   -8270.1679    293.46093    293.46093    22265.909    22265.909   -746.55339   -746.55339 
   89000   -8192.7226   -8192.7226   -8270.1272   -8270.1272    299.56383    299.56383     22274.22     22274.22   -1465.3924   -1465.3924 
Loop time of 13.5288 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.386 ns/day, 3.758 hours/ns, 73.917 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.328     | 13.328     | 13.328     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040854   | 0.040854   | 0.040854   |   0.0 |  0.30
Output  | 7.3765e-05 | 7.3765e-05 | 7.3765e-05 |   0.0 |  0.00
Modify  | 0.13823    | 0.13823    | 0.13823    |   0.0 |  1.02
Other   |            | 0.02144    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349708.0 ave      349708 max      349708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349708
Ave neighs/atom = 174.85400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.749665858431, Press = -0.424540227223305
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -8192.7226   -8192.7226   -8270.1272   -8270.1272    299.56383    299.56383     22274.22     22274.22   -1465.3924   -1465.3924 
   90000   -8191.0078   -8191.0078   -8268.5061   -8268.5061     299.9261     299.9261    22302.594    22302.594   -2540.3559   -2540.3559 
Loop time of 13.5336 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.384 ns/day, 3.759 hours/ns, 73.890 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.334     | 13.334     | 13.334     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040532   | 0.040532   | 0.040532   |   0.0 |  0.30
Output  | 5.6759e-05 | 5.6759e-05 | 5.6759e-05 |   0.0 |  0.00
Modify  | 0.13799    | 0.13799    | 0.13799    |   0.0 |  1.02
Other   |            | 0.02139    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5534.00 ave        5534 max        5534 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349376.0 ave      349376 max      349376 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349376
Ave neighs/atom = 174.68800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.739546740603, Press = -0.611364792152197
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -8191.0078   -8191.0078   -8268.5061   -8268.5061     299.9261     299.9261    22302.594    22302.594   -2540.3559   -2540.3559 
   91000   -8193.8007   -8193.8007   -8269.2607   -8269.2607    292.03793    292.03793    22265.087    22265.087    15.424146    15.424146 
Loop time of 13.4995 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.077 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    | 13.299     | 13.299     | 13.299     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040568   | 0.040568   | 0.040568   |   0.0 |  0.30
Output  | 5.7896e-05 | 5.7896e-05 | 5.7896e-05 |   0.0 |  0.00
Modify  | 0.13824    | 0.13824    | 0.13824    |   0.0 |  1.02
Other   |            | 0.02132    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5493.00 ave        5493 max        5493 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348978.0 ave      348978 max      348978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348978
Ave neighs/atom = 174.48900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.747912437569, Press = -0.511045201736584
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -8193.8007   -8193.8007   -8269.2607   -8269.2607    292.03793    292.03793    22265.087    22265.087    15.424146    15.424146 
   92000   -8193.5942   -8193.5942   -8268.9367   -8268.9367    291.58346    291.58346    22258.886    22258.886    186.72223    186.72223 
Loop time of 13.5168 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.982 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.317     | 13.317     | 13.317     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040613   | 0.040613   | 0.040613   |   0.0 |  0.30
Output  | 5.5423e-05 | 5.5423e-05 | 5.5423e-05 |   0.0 |  0.00
Modify  | 0.13805    | 0.13805    | 0.13805    |   0.0 |  1.02
Other   |            | 0.02143    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349620.0 ave      349620 max      349620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349620
Ave neighs/atom = 174.81000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.743345086672, Press = -0.677828967346278
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -8193.5942   -8193.5942   -8268.9367   -8268.9367    291.58346    291.58346    22258.886    22258.886    186.72223    186.72223 
   93000   -8194.7885   -8194.7885   -8268.8798   -8268.8798     286.7408     286.7408    22234.208    22234.208    2521.8515    2521.8515 
Loop time of 13.5234 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.757 hours/ns, 73.946 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.323     | 13.323     | 13.323     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040603   | 0.040603   | 0.040603   |   0.0 |  0.30
Output  | 5.8098e-05 | 5.8098e-05 | 5.8098e-05 |   0.0 |  0.00
Modify  | 0.13816    | 0.13816    | 0.13816    |   0.0 |  1.02
Other   |            | 0.02133    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349428.0 ave      349428 max      349428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349428
Ave neighs/atom = 174.71400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.721352532558, Press = -0.775625207264215
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -8194.7885   -8194.7885   -8268.8798   -8268.8798     286.7408     286.7408    22234.208    22234.208    2521.8515    2521.8515 
   94000   -8190.4701   -8190.4701   -8268.0153   -8268.0153    300.10789    300.10789    22254.015    22254.015    1338.1727    1338.1727 
Loop time of 13.5363 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.383 ns/day, 3.760 hours/ns, 73.875 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.336     | 13.336     | 13.336     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040519   | 0.040519   | 0.040519   |   0.0 |  0.30
Output  | 9.0186e-05 | 9.0186e-05 | 9.0186e-05 |   0.0 |  0.00
Modify  | 0.13823    | 0.13823    | 0.13823    |   0.0 |  1.02
Other   |            | 0.02139    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349994.0 ave      349994 max      349994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349994
Ave neighs/atom = 174.99700
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 = 293.712181360754, Press = -0.675563231944641
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -8190.4701   -8190.4701   -8268.0153   -8268.0153    300.10789    300.10789    22254.015    22254.015    1338.1727    1338.1727 
   95000    -8193.734    -8193.734   -8268.7326   -8268.7326     290.2523     290.2523    22249.758    22249.758    1237.3953    1237.3953 
Loop time of 13.5339 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.384 ns/day, 3.759 hours/ns, 73.889 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.334     | 13.334     | 13.334     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040608   | 0.040608   | 0.040608   |   0.0 |  0.30
Output  | 5.6764e-05 | 5.6764e-05 | 5.6764e-05 |   0.0 |  0.00
Modify  | 0.13825    | 0.13825    | 0.13825    |   0.0 |  1.02
Other   |            | 0.02137    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349638.0 ave      349638 max      349638 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349638
Ave neighs/atom = 174.81900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.687115897869, Press = -0.0902375215305789
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000    -8193.734    -8193.734   -8268.7326   -8268.7326     290.2523     290.2523    22249.758    22249.758    1237.3953    1237.3953 
   96000   -8194.6266   -8194.6266   -8268.9153   -8268.9153    287.50529    287.50529    22243.877    22243.877    1776.6605    1776.6605 
Loop time of 13.5308 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.385 ns/day, 3.759 hours/ns, 73.906 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.33      | 13.33      | 13.33      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04095    | 0.04095    | 0.04095    |   0.0 |  0.30
Output  | 5.7572e-05 | 5.7572e-05 | 5.7572e-05 |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.02
Other   |            | 0.02134    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349880.0 ave      349880 max      349880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349880
Ave neighs/atom = 174.94000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.670810189102, Press = -0.209925120068094
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -8194.6266   -8194.6266   -8268.9153   -8268.9153    287.50529    287.50529    22243.877    22243.877    1776.6605    1776.6605 
   97000   -8191.4466   -8191.4466   -8268.7438   -8268.7438    299.14797    299.14797    22256.799    22256.799    564.19739    564.19739 
Loop time of 13.5211 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.390 ns/day, 3.756 hours/ns, 73.958 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.321     | 13.321     | 13.321     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041043   | 0.041043   | 0.041043   |   0.0 |  0.30
Output  | 5.7311e-05 | 5.7311e-05 | 5.7311e-05 |   0.0 |  0.00
Modify  | 0.13807    | 0.13807    | 0.13807    |   0.0 |  1.02
Other   |            | 0.02131    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349688.0 ave      349688 max      349688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349688
Ave neighs/atom = 174.84400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.638070380321, Press = 0.0652291024714522
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000   -8191.4466   -8191.4466   -8268.7438   -8268.7438    299.14797    299.14797    22256.799    22256.799    564.19739    564.19739 
   98000   -8191.2483   -8191.2483   -8269.9572   -8269.9572    304.61162    304.61162    22277.389    22277.389   -1259.4562   -1259.4562 
Loop time of 13.5198 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.756 hours/ns, 73.965 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.32      | 13.32      | 13.32      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040482   | 0.040482   | 0.040482   |   0.0 |  0.30
Output  | 7.7827e-05 | 7.7827e-05 | 7.7827e-05 |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.02
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5528.00 ave        5528 max        5528 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349656.0 ave      349656 max      349656 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349656
Ave neighs/atom = 174.82800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.627068963166, Press = 0.35008019958766
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000   -8191.2483   -8191.2483   -8269.9572   -8269.9572    304.61162    304.61162    22277.389    22277.389   -1259.4562   -1259.4562 
   99000   -8195.4165   -8195.4165   -8270.2345   -8270.2345    289.55341    289.55341    22262.028    22262.028   -484.71367   -484.71367 
Loop time of 13.5128 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.754 hours/ns, 74.004 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.313     | 13.313     | 13.313     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040553   | 0.040553   | 0.040553   |   0.0 |  0.30
Output  | 5.9411e-05 | 5.9411e-05 | 5.9411e-05 |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.02
Other   |            | 0.02148    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349264.0 ave      349264 max      349264 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349264
Ave neighs/atom = 174.63200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.618218979445, Press = -0.0326390429621637
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000   -8195.4165   -8195.4165   -8270.2345   -8270.2345    289.55341    289.55341    22262.028    22262.028   -484.71367   -484.71367 
  100000   -8194.4708   -8194.4708   -8268.3546   -8268.3546    285.93766    285.93766    22304.535    22304.535   -3071.9904   -3071.9904 
Loop time of 13.5048 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.048 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.305     | 13.305     | 13.305     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040766   | 0.040766   | 0.040766   |   0.0 |  0.30
Output  | 5.75e-05   | 5.75e-05   | 5.75e-05   |   0.0 |  0.00
Modify  | 0.13805    | 0.13805    | 0.13805    |   0.0 |  1.02
Other   |            | 0.02137    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349586.0 ave      349586 max      349586 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349586
Ave neighs/atom = 174.79300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.626568909019, Press = -0.517375278084421
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000   -8194.4708   -8194.4708   -8268.3546   -8268.3546    285.93766    285.93766    22304.535    22304.535   -3071.9904   -3071.9904 
  101000   -8191.8257   -8191.8257   -8269.1013   -8269.1013    299.06463    299.06463    22306.347    22306.347   -3569.6364   -3569.6364 
Loop time of 13.5131 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.754 hours/ns, 74.002 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.313     | 13.313     | 13.313     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040587   | 0.040587   | 0.040587   |   0.0 |  0.30
Output  | 5.8233e-05 | 5.8233e-05 | 5.8233e-05 |   0.0 |  0.00
Modify  | 0.13813    | 0.13813    | 0.13813    |   0.0 |  1.02
Other   |            | 0.02138    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348934.0 ave      348934 max      348934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348934
Ave neighs/atom = 174.46700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.622123040647, Press = -0.886607658016193
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -8191.8257   -8191.8257   -8269.1013   -8269.1013    299.06463    299.06463    22306.347    22306.347   -3569.6364   -3569.6364 
  102000   -8191.4516   -8191.4516   -8268.4931   -8268.4931    298.15875    298.15875     22274.21     22274.21   -859.66683   -859.66683 
Loop time of 13.5061 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.041 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.306     | 13.306     | 13.306     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04106    | 0.04106    | 0.04106    |   0.0 |  0.30
Output  | 5.789e-05  | 5.789e-05  | 5.789e-05  |   0.0 |  0.00
Modify  | 0.13798    | 0.13798    | 0.13798    |   0.0 |  1.02
Other   |            | 0.0214     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348858.0 ave      348858 max      348858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348858
Ave neighs/atom = 174.42900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.638753127374, Press = -0.906954390705884
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -8191.4516   -8191.4516   -8268.4931   -8268.4931    298.15875    298.15875     22274.21     22274.21   -859.66683   -859.66683 
  103000   -8194.0788   -8194.0788   -8269.4557   -8269.4557    291.71623    291.71623    22265.055    22265.055   -84.348474   -84.348474 
Loop time of 13.5316 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.385 ns/day, 3.759 hours/ns, 73.901 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.331     | 13.331     | 13.331     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041096   | 0.041096   | 0.041096   |   0.0 |  0.30
Output  | 8.0088e-05 | 8.0088e-05 | 8.0088e-05 |   0.0 |  0.00
Modify  | 0.13797    | 0.13797    | 0.13797    |   0.0 |  1.02
Other   |            | 0.02141    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349316.0 ave      349316 max      349316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349316
Ave neighs/atom = 174.65800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.641359001493, Press = -0.636834083585371
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  103000   -8194.0788   -8194.0788   -8269.4557   -8269.4557    291.71623    291.71623    22265.055    22265.055   -84.348474   -84.348474 
  104000   -8192.8881   -8192.8881   -8268.5773   -8268.5773    292.92509    292.92509    22275.938    22275.938     -640.456     -640.456 
Loop time of 13.5076 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.396 ns/day, 3.752 hours/ns, 74.032 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.308     | 13.308     | 13.308     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040462   | 0.040462   | 0.040462   |   0.0 |  0.30
Output  | 5.8192e-05 | 5.8192e-05 | 5.8192e-05 |   0.0 |  0.00
Modify  | 0.13791    | 0.13791    | 0.13791    |   0.0 |  1.02
Other   |            | 0.02137    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349752.0 ave      349752 max      349752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349752
Ave neighs/atom = 174.87600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.634480479526, Press = -0.4559629959479
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  104000   -8192.8881   -8192.8881   -8268.5773   -8268.5773    292.92509    292.92509    22275.938    22275.938     -640.456     -640.456 
  105000   -8196.2048   -8196.2048   -8270.9304   -8270.9304     289.1955     289.1955    22239.906    22239.906     1262.366     1262.366 
Loop time of 13.5153 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.990 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.315     | 13.315     | 13.315     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040663   | 0.040663   | 0.040663   |   0.0 |  0.30
Output  | 5.8173e-05 | 5.8173e-05 | 5.8173e-05 |   0.0 |  0.00
Modify  | 0.13814    | 0.13814    | 0.13814    |   0.0 |  1.02
Other   |            | 0.02146    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349548.0 ave      349548 max      349548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349548
Ave neighs/atom = 174.77400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.603652025921, Press = -1.04230497075519
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  105000   -8196.2048   -8196.2048   -8270.9304   -8270.9304     289.1955     289.1955    22239.906    22239.906     1262.366     1262.366 
  106000   -8192.4517   -8192.4517   -8266.9294   -8266.9294    288.23646    288.23646    22237.019    22237.019     3656.749     3656.749 
Loop time of 13.5065 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.038 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.307     | 13.307     | 13.307     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040465   | 0.040465   | 0.040465   |   0.0 |  0.30
Output  | 5.7223e-05 | 5.7223e-05 | 5.7223e-05 |   0.0 |  0.00
Modify  | 0.13782    | 0.13782    | 0.13782    |   0.0 |  1.02
Other   |            | 0.02133    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5524.00 ave        5524 max        5524 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349814.0 ave      349814 max      349814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349814
Ave neighs/atom = 174.90700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.593833411059, Press = -0.374912235330777
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  106000   -8192.4517   -8192.4517   -8266.9294   -8266.9294    288.23646    288.23646    22237.019    22237.019     3656.749     3656.749 
  107000   -8193.8809   -8193.8809   -8269.8763   -8269.8763    294.10993    294.10993    22258.791    22258.791    177.80185    177.80185 
Loop time of 13.5233 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.756 hours/ns, 73.946 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.323     | 13.323     | 13.323     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040592   | 0.040592   | 0.040592   |   0.0 |  0.30
Output  | 7.844e-05  | 7.844e-05  | 7.844e-05  |   0.0 |  0.00
Modify  | 0.13789    | 0.13789    | 0.13789    |   0.0 |  1.02
Other   |            | 0.02145    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350142.0 ave      350142 max      350142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350142
Ave neighs/atom = 175.07100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.578428787397, Press = -0.350477521823326
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  107000   -8193.8809   -8193.8809   -8269.8763   -8269.8763    294.10993    294.10993    22258.791    22258.791    177.80185    177.80185 
  108000    -8195.477    -8195.477   -8271.0127   -8271.0127    292.33091    292.33091    22260.001    22260.001   -641.75872   -641.75872 
Loop time of 13.5107 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.015 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.311     | 13.311     | 13.311     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040623   | 0.040623   | 0.040623   |   0.0 |  0.30
Output  | 5.9509e-05 | 5.9509e-05 | 5.9509e-05 |   0.0 |  0.00
Modify  | 0.13798    | 0.13798    | 0.13798    |   0.0 |  1.02
Other   |            | 0.02146    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349546.0 ave      349546 max      349546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349546
Ave neighs/atom = 174.77300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.564488838383, Press = -0.572400333471272
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  108000    -8195.477    -8195.477   -8271.0127   -8271.0127    292.33091    292.33091    22260.001    22260.001   -641.75872   -641.75872 
  109000   -8193.6755   -8193.6755   -8267.8603   -8267.8603    287.10259    287.10259    22265.584    22265.584    681.03928    681.03928 
Loop time of 13.5044 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.050 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.305     | 13.305     | 13.305     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040486   | 0.040486   | 0.040486   |   0.0 |  0.30
Output  | 5.723e-05  | 5.723e-05  | 5.723e-05  |   0.0 |  0.00
Modify  | 0.13772    | 0.13772    | 0.13772    |   0.0 |  1.02
Other   |            | 0.02131    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5500.00 ave        5500 max        5500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349436.0 ave      349436 max      349436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349436
Ave neighs/atom = 174.71800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.539469417894, Press = -0.110917786455861
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  109000   -8193.6755   -8193.6755   -8267.8603   -8267.8603    287.10259    287.10259    22265.584    22265.584    681.03928    681.03928 
  110000   -8194.9385   -8194.9385   -8269.8123   -8269.8123    289.76952    289.76952    22233.571    22233.571    1784.9298    1784.9298 
Loop time of 13.5254 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.935 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.325     | 13.325     | 13.325     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040654   | 0.040654   | 0.040654   |   0.0 |  0.30
Output  | 5.7721e-05 | 5.7721e-05 | 5.7721e-05 |   0.0 |  0.00
Modify  | 0.13797    | 0.13797    | 0.13797    |   0.0 |  1.02
Other   |            | 0.02144    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5530.00 ave        5530 max        5530 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349692.0 ave      349692 max      349692 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349692
Ave neighs/atom = 174.84600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.539976809417, Press = -0.215844193297482
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  110000   -8194.9385   -8194.9385   -8269.8123   -8269.8123    289.76952    289.76952    22233.571    22233.571    1784.9298    1784.9298 
  111000   -8193.0625   -8193.0625   -8269.1839   -8269.1839    294.59762    294.59762    22275.197    22275.197   -487.57896   -487.57896 
Loop time of 13.5233 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.756 hours/ns, 73.947 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.323     | 13.323     | 13.323     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040502   | 0.040502   | 0.040502   |   0.0 |  0.30
Output  | 5.7158e-05 | 5.7158e-05 | 5.7158e-05 |   0.0 |  0.00
Modify  | 0.1382     | 0.1382     | 0.1382     |   0.0 |  1.02
Other   |            | 0.0213     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349712.0 ave      349712 max      349712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349712
Ave neighs/atom = 174.85600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.529104200555, Press = 0.32257749803722
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  111000   -8193.0625   -8193.0625   -8269.1839   -8269.1839    294.59762    294.59762    22275.197    22275.197   -487.57896   -487.57896 
  112000    -8196.077    -8196.077   -8270.1196   -8270.1196    286.55261    286.55261    22285.145    22285.145   -2068.8492   -2068.8492 
Loop time of 13.5065 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.039 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.306     | 13.306     | 13.306     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040515   | 0.040515   | 0.040515   |   0.0 |  0.30
Output  | 8.4846e-05 | 8.4846e-05 | 8.4846e-05 |   0.0 |  0.00
Modify  | 0.13799    | 0.13799    | 0.13799    |   0.0 |  1.02
Other   |            | 0.02139    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5527.00 ave        5527 max        5527 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349626.0 ave      349626 max      349626 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349626
Ave neighs/atom = 174.81300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.529651112974, Press = -0.0474903459939391
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  112000    -8196.077    -8196.077   -8270.1196   -8270.1196    286.55261    286.55261    22285.145    22285.145   -2068.8492   -2068.8492 
  113000   -8192.4307   -8192.4307   -8269.1756   -8269.1756    297.01067    297.01067     22274.26     22274.26   -852.29163   -852.29163 
Loop time of 13.5194 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.755 hours/ns, 73.968 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.319     | 13.319     | 13.319     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040649   | 0.040649   | 0.040649   |   0.0 |  0.30
Output  | 5.8545e-05 | 5.8545e-05 | 5.8545e-05 |   0.0 |  0.00
Modify  | 0.13841    | 0.13841    | 0.13841    |   0.0 |  1.02
Other   |            | 0.02141    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5533.00 ave        5533 max        5533 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349412.0 ave      349412 max      349412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349412
Ave neighs/atom = 174.70600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.518280588117, Press = -0.843832344043845
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  113000   -8192.4307   -8192.4307   -8269.1756   -8269.1756    297.01067    297.01067     22274.26     22274.26   -852.29163   -852.29163 
  114000   -8192.7534   -8192.7534   -8267.5816   -8267.5816    289.59278    289.59278    22282.262    22282.262   -539.58957   -539.58957 
Loop time of 13.5003 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.072 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.3       | 13.3       | 13.3       |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04071    | 0.04071    | 0.04071    |   0.0 |  0.30
Output  | 5.6278e-05 | 5.6278e-05 | 5.6278e-05 |   0.0 |  0.00
Modify  | 0.13821    | 0.13821    | 0.13821    |   0.0 |  1.02
Other   |            | 0.02137    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5525.00 ave        5525 max        5525 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349620.0 ave      349620 max      349620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349620
Ave neighs/atom = 174.81000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.490710837172, Press = -0.742934870209251
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  114000   -8192.7534   -8192.7534   -8267.5816   -8267.5816    289.59278    289.59278    22282.262    22282.262   -539.58957   -539.58957 
  115000   -8195.4426   -8195.4426   -8271.1781   -8271.1781    293.10417    293.10417    22270.756    22270.756   -1117.7389   -1117.7389 
Loop time of 13.5163 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.316     | 13.316     | 13.316     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040464   | 0.040464   | 0.040464   |   0.0 |  0.30
Output  | 5.8501e-05 | 5.8501e-05 | 5.8501e-05 |   0.0 |  0.00
Modify  | 0.13824    | 0.13824    | 0.13824    |   0.0 |  1.02
Other   |            | 0.02139    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349296.0 ave      349296 max      349296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349296
Ave neighs/atom = 174.64800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.472058300771, Press = -1.23225690467181
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  115000   -8195.4426   -8195.4426   -8271.1781   -8271.1781    293.10417    293.10417    22270.756    22270.756   -1117.7389   -1117.7389 
  116000   -8191.3118   -8191.3118   -8267.8904   -8267.8904    296.36693    296.36693    22226.839    22226.839    3566.5974    3566.5974 
Loop time of 13.5143 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.996 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.314     | 13.314     | 13.314     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04066    | 0.04066    | 0.04066    |   0.0 |  0.30
Output  | 8.0976e-05 | 8.0976e-05 | 8.0976e-05 |   0.0 |  0.00
Modify  | 0.13812    | 0.13812    | 0.13812    |   0.0 |  1.02
Other   |            | 0.02138    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349678.0 ave      349678 max      349678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349678
Ave neighs/atom = 174.83900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.461162390114, Press = -0.903620169336937
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  116000   -8191.3118   -8191.3118   -8267.8904   -8267.8904    296.36693    296.36693    22226.839    22226.839    3566.5974    3566.5974 
  117000   -8195.8788   -8195.8788   -8270.8803   -8270.8803    290.26361    290.26361    22239.156    22239.156    1474.9275    1474.9275 
Loop time of 13.5116 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.753 hours/ns, 74.010 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.311     | 13.311     | 13.311     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040594   | 0.040594   | 0.040594   |   0.0 |  0.30
Output  | 5.936e-05  | 5.936e-05  | 5.936e-05  |   0.0 |  0.00
Modify  | 0.1381     | 0.1381     | 0.1381     |   0.0 |  1.02
Other   |            | 0.0214     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350130.0 ave      350130 max      350130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350130
Ave neighs/atom = 175.06500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.451038024248, Press = -0.529608308352933
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  117000   -8195.8788   -8195.8788   -8270.8803   -8270.8803    290.26361    290.26361    22239.156    22239.156    1474.9275    1474.9275 
  118000   -8192.2148   -8192.2148   -8269.0255   -8269.0255    297.26519    297.26519    22235.187    22235.187    2232.0362    2232.0362 
Loop time of 13.5371 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.382 ns/day, 3.760 hours/ns, 73.871 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.337     | 13.337     | 13.337     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040807   | 0.040807   | 0.040807   |   0.0 |  0.30
Output  | 5.825e-05  | 5.825e-05  | 5.825e-05  |   0.0 |  0.00
Modify  | 0.13809    | 0.13809    | 0.13809    |   0.0 |  1.02
Other   |            | 0.02144    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350100.0 ave      350100 max      350100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350100
Ave neighs/atom = 175.05000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.437831026928, Press = -0.062343349341323
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  118000   -8192.2148   -8192.2148   -8269.0255   -8269.0255    297.26519    297.26519    22235.187    22235.187    2232.0362    2232.0362 
  119000   -8194.9419   -8194.9419   -8269.1399   -8269.1399    287.15397    287.15397    22269.915    22269.915   -410.26963   -410.26963 
Loop time of 13.5286 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.386 ns/day, 3.758 hours/ns, 73.917 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.328     | 13.328     | 13.328     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04081    | 0.04081    | 0.04081    |   0.0 |  0.30
Output  | 5.6471e-05 | 5.6471e-05 | 5.6471e-05 |   0.0 |  0.00
Modify  | 0.13809    | 0.13809    | 0.13809    |   0.0 |  1.02
Other   |            | 0.02141    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349564.0 ave      349564 max      349564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349564
Ave neighs/atom = 174.78200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.455188350091, Press = 0.0598724957490722
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  119000   -8194.9419   -8194.9419   -8269.1399   -8269.1399    287.15397    287.15397    22269.915    22269.915   -410.26963   -410.26963 
  120000   -8192.8516   -8192.8516   -8269.1054   -8269.1054    295.11034    295.11034    22280.363    22280.363   -1684.4858   -1684.4858 
Loop time of 13.5317 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.385 ns/day, 3.759 hours/ns, 73.901 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.332     | 13.332     | 13.332     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040672   | 0.040672   | 0.040672   |   0.0 |  0.30
Output  | 7.4427e-05 | 7.4427e-05 | 7.4427e-05 |   0.0 |  0.00
Modify  | 0.13804    | 0.13804    | 0.13804    |   0.0 |  1.02
Other   |            | 0.02136    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5499.00 ave        5499 max        5499 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349578.0 ave      349578 max      349578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349578
Ave neighs/atom = 174.78900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.447421803183, Press = -0.399517795190243
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  120000   -8192.8516   -8192.8516   -8269.1054   -8269.1054    295.11034    295.11034    22280.363    22280.363   -1684.4858   -1684.4858 
  121000   -8195.1749   -8195.1749   -8267.9346   -8267.9346    281.58752    281.58752    22310.311    22310.311   -3015.4693   -3015.4693 
Loop time of 13.5144 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.995 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.314     | 13.314     | 13.314     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040918   | 0.040918   | 0.040918   |   0.0 |  0.30
Output  | 5.7627e-05 | 5.7627e-05 | 5.7627e-05 |   0.0 |  0.00
Modify  | 0.13806    | 0.13806    | 0.13806    |   0.0 |  1.02
Other   |            | 0.02133    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5526.00 ave        5526 max        5526 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349258.0 ave      349258 max      349258 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349258
Ave neighs/atom = 174.62900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.419646244618, Press = -0.703514323570481
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  121000   -8195.1749   -8195.1749   -8267.9346   -8267.9346    281.58752    281.58752    22310.311    22310.311   -3015.4693   -3015.4693 
  122000   -8193.5118   -8193.5118   -8268.5486   -8268.5486    290.40024    290.40024    22282.516    22282.516   -1588.2628   -1588.2628 
Loop time of 13.4978 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.401 ns/day, 3.749 hours/ns, 74.086 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.298     | 13.298     | 13.298     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040544   | 0.040544   | 0.040544   |   0.0 |  0.30
Output  | 5.8908e-05 | 5.8908e-05 | 5.8908e-05 |   0.0 |  0.00
Modify  | 0.13796    | 0.13796    | 0.13796    |   0.0 |  1.02
Other   |            | 0.02134    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348998.0 ave      348998 max      348998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348998
Ave neighs/atom = 174.49900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.410880952152, Press = -0.809618207692078
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  122000   -8193.5118   -8193.5118   -8268.5486   -8268.5486    290.40024    290.40024    22282.516    22282.516   -1588.2628   -1588.2628 
  123000   -8193.4933   -8193.4933   -8267.5316   -8267.5316      286.536      286.536    22248.629    22248.629     2016.243     2016.243 
Loop time of 13.5244 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.940 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.324     | 13.324     | 13.324     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04068    | 0.04068    | 0.04068    |   0.0 |  0.30
Output  | 5.5904e-05 | 5.5904e-05 | 5.5904e-05 |   0.0 |  0.00
Modify  | 0.1383     | 0.1383     | 0.1383     |   0.0 |  1.02
Other   |            | 0.0214     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349200.0 ave      349200 max      349200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349200
Ave neighs/atom = 174.60000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.382893988307, Press = -0.789324551832771
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  123000   -8193.4933   -8193.4933   -8267.5316   -8267.5316      286.536      286.536    22248.629    22248.629     2016.243     2016.243 
  124000   -8194.8771   -8194.8771   -8271.0486   -8271.0486    294.79163    294.79163    22227.689    22227.689    2436.0771    2436.0771 
Loop time of 13.5257 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.933 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.326     | 13.326     | 13.326     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04056    | 0.04056    | 0.04056    |   0.0 |  0.30
Output  | 5.8331e-05 | 5.8331e-05 | 5.8331e-05 |   0.0 |  0.00
Modify  | 0.138      | 0.138      | 0.138      |   0.0 |  1.02
Other   |            | 0.02141    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349896.0 ave      349896 max      349896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349896
Ave neighs/atom = 174.94800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.378929040307, Press = -0.229831355885917
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  124000   -8194.8771   -8194.8771   -8271.0486   -8271.0486    294.79163    294.79163    22227.689    22227.689    2436.0771    2436.0771 
  125000    -8193.265    -8193.265    -8269.357    -8269.357    294.48413    294.48413    22247.187    22247.187    1266.8816    1266.8816 
Loop time of 13.5257 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.933 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.325     | 13.325     | 13.325     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040873   | 0.040873   | 0.040873   |   0.0 |  0.30
Output  | 8.7251e-05 | 8.7251e-05 | 8.7251e-05 |   0.0 |  0.00
Modify  | 0.13825    | 0.13825    | 0.13825    |   0.0 |  1.02
Other   |            | 0.02141    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5527.00 ave        5527 max        5527 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350200.0 ave      350200 max      350200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350200
Ave neighs/atom = 175.10000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.384641271736, Press = 0.158351281134246
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  125000    -8193.265    -8193.265    -8269.357    -8269.357    294.48413    294.48413    22247.187    22247.187    1266.8816    1266.8816 
  126000   -8192.7792   -8192.7792   -8269.2574   -8269.2574    295.97874    295.97874    22259.821    22259.821    313.14144    313.14144 
Loop time of 13.5284 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.387 ns/day, 3.758 hours/ns, 73.919 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.328     | 13.328     | 13.328     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040655   | 0.040655   | 0.040655   |   0.0 |  0.30
Output  | 5.628e-05  | 5.628e-05  | 5.628e-05  |   0.0 |  0.00
Modify  | 0.13796    | 0.13796    | 0.13796    |   0.0 |  1.02
Other   |            | 0.02132    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349852.0 ave      349852 max      349852 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349852
Ave neighs/atom = 174.92600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.384758823696, Press = 0.0660176647644674
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  126000   -8192.7792   -8192.7792   -8269.2574   -8269.2574    295.97874    295.97874    22259.821    22259.821    313.14144    313.14144 
  127000   -8192.2422   -8192.2422   -8268.0397   -8268.0397    293.34426    293.34426    22270.855    22270.855   -121.18206   -121.18206 
Loop time of 13.5068 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.037 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.307     | 13.307     | 13.307     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040553   | 0.040553   | 0.040553   |   0.0 |  0.30
Output  | 5.7587e-05 | 5.7587e-05 | 5.7587e-05 |   0.0 |  0.00
Modify  | 0.13806    | 0.13806    | 0.13806    |   0.0 |  1.02
Other   |            | 0.02144    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5500.00 ave        5500 max        5500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349792.0 ave      349792 max      349792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349792
Ave neighs/atom = 174.89600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.370192695506, Press = 0.0862773388089588
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  127000   -8192.2422   -8192.2422   -8268.0397   -8268.0397    293.34426    293.34426    22270.855    22270.855   -121.18206   -121.18206 
  128000      -8195.2      -8195.2   -8271.3151   -8271.3151    294.57352    294.57352    22275.823    22275.823     -1807.68     -1807.68 
Loop time of 13.524 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.757 hours/ns, 73.943 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.324     | 13.324     | 13.324     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040508   | 0.040508   | 0.040508   |   0.0 |  0.30
Output  | 5.8352e-05 | 5.8352e-05 | 5.8352e-05 |   0.0 |  0.00
Modify  | 0.13792    | 0.13792    | 0.13792    |   0.0 |  1.02
Other   |            | 0.02133    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5506.00 ave        5506 max        5506 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349278.0 ave      349278 max      349278 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349278
Ave neighs/atom = 174.63900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.353227563733, Press = 0.20566267390144
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  128000      -8195.2      -8195.2   -8271.3151   -8271.3151    294.57352    294.57352    22275.823    22275.823     -1807.68     -1807.68 
  129000   -8192.6308   -8192.6308    -8267.967    -8267.967    291.55908    291.55908    22290.516    22290.516   -1712.9437   -1712.9437 
Loop time of 13.4991 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.079 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.299     | 13.299     | 13.299     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040535   | 0.040535   | 0.040535   |   0.0 |  0.30
Output  | 8.2321e-05 | 8.2321e-05 | 8.2321e-05 |   0.0 |  0.00
Modify  | 0.13807    | 0.13807    | 0.13807    |   0.0 |  1.02
Other   |            | 0.02132    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349540.0 ave      349540 max      349540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349540
Ave neighs/atom = 174.77000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.328183535883, Press = -0.43400798270407
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  129000   -8192.6308   -8192.6308    -8267.967    -8267.967    291.55908    291.55908    22290.516    22290.516   -1712.9437   -1712.9437 
  130000   -8195.4263   -8195.4263    -8273.062    -8273.062    300.45837    300.45837    22274.851    22274.851   -2078.3698   -2078.3698 
Loop time of 13.5122 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.753 hours/ns, 74.007 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.312     | 13.312     | 13.312     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0406     | 0.0406     | 0.0406     |   0.0 |  0.30
Output  | 5.8569e-05 | 5.8569e-05 | 5.8569e-05 |   0.0 |  0.00
Modify  | 0.13813    | 0.13813    | 0.13813    |   0.0 |  1.02
Other   |            | 0.02137    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349330.0 ave      349330 max      349330 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349330
Ave neighs/atom = 174.66500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.322416742781, Press = -0.424813571483753
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  130000   -8195.4263   -8195.4263    -8273.062    -8273.062    300.45837    300.45837    22274.851    22274.851   -2078.3698   -2078.3698 
  131000   -8190.5807   -8190.5807   -8267.4134   -8267.4134    297.35045    297.35045     22272.98     22272.98    298.25844    298.25844 
Loop time of 13.5282 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.387 ns/day, 3.758 hours/ns, 73.920 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.328     | 13.328     | 13.328     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040656   | 0.040656   | 0.040656   |   0.0 |  0.30
Output  | 5.7832e-05 | 5.7832e-05 | 5.7832e-05 |   0.0 |  0.00
Modify  | 0.13801    | 0.13801    | 0.13801    |   0.0 |  1.02
Other   |            | 0.02137    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5536.00 ave        5536 max        5536 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349240.0 ave      349240 max      349240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349240
Ave neighs/atom = 174.62000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.315173348555, Press = -0.924796147570157
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  131000   -8190.5807   -8190.5807   -8267.4134   -8267.4134    297.35045    297.35045     22272.98     22272.98    298.25844    298.25844 
  132000   -8196.0322   -8196.0322   -8269.7732   -8269.7732    285.38535    285.38535    22268.324    22268.324   -541.41402   -541.41402 
Loop time of 13.5091 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.396 ns/day, 3.753 hours/ns, 74.024 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.309     | 13.309     | 13.309     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040598   | 0.040598   | 0.040598   |   0.0 |  0.30
Output  | 5.6982e-05 | 5.6982e-05 | 5.6982e-05 |   0.0 |  0.00
Modify  | 0.13797    | 0.13797    | 0.13797    |   0.0 |  1.02
Other   |            | 0.02139    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349682.0 ave      349682 max      349682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349682
Ave neighs/atom = 174.84100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.311968781549, Press = -0.970709162261374
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  132000   -8196.0322   -8196.0322   -8269.7732   -8269.7732    285.38535    285.38535    22268.324    22268.324   -541.41402   -541.41402 
  133000   -8192.8505   -8192.8505   -8269.0411   -8269.0411     294.8657     294.8657    22263.575    22263.575   -85.175924   -85.175924 
Loop time of 13.5174 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.979 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.317     | 13.317     | 13.317     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040529   | 0.040529   | 0.040529   |   0.0 |  0.30
Output  | 7.6166e-05 | 7.6166e-05 | 7.6166e-05 |   0.0 |  0.00
Modify  | 0.13801    | 0.13801    | 0.13801    |   0.0 |  1.02
Other   |            | 0.02134    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5498.00 ave        5498 max        5498 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349136.0 ave      349136 max      349136 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349136
Ave neighs/atom = 174.56800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.324079214767, Press = -0.958612916482488
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  133000   -8192.8505   -8192.8505   -8269.0411   -8269.0411     294.8657     294.8657    22263.575    22263.575   -85.175924   -85.175924 
  134000   -8190.0258   -8190.0258   -8269.3309   -8269.3309     306.9188     306.9188     22273.68     22273.68   -460.66613   -460.66613 
Loop time of 13.505 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.047 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.305     | 13.305     | 13.305     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040632   | 0.040632   | 0.040632   |   0.0 |  0.30
Output  | 7.6101e-05 | 7.6101e-05 | 7.6101e-05 |   0.0 |  0.00
Modify  | 0.1382     | 0.1382     | 0.1382     |   0.0 |  1.02
Other   |            | 0.02142    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349276.0 ave      349276 max      349276 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349276
Ave neighs/atom = 174.63800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.330325408655, Press = -0.459029639588083
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  134000   -8190.0258   -8190.0258   -8269.3309   -8269.3309     306.9188     306.9188     22273.68     22273.68   -460.66613   -460.66613 
  135000   -8195.0789   -8195.0789    -8269.339    -8269.339     287.3946     287.3946    22232.544    22232.544    2430.6231    2430.6231 
Loop time of 13.5224 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.756 hours/ns, 73.952 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.322     | 13.322     | 13.322     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040571   | 0.040571   | 0.040571   |   0.0 |  0.30
Output  | 5.525e-05  | 5.525e-05  | 5.525e-05  |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.02
Other   |            | 0.02131    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349622.0 ave      349622 max      349622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349622
Ave neighs/atom = 174.81100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.346291085331, Press = -0.462869013633755
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  135000   -8195.0789   -8195.0789    -8269.339    -8269.339     287.3946     287.3946    22232.544    22232.544    2430.6231    2430.6231 
  136000   -8193.3293   -8193.3293   -8268.6619   -8268.6619    291.54506    291.54506    22238.161    22238.161    2599.5207    2599.5207 
Loop time of 13.5214 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.390 ns/day, 3.756 hours/ns, 73.957 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.321     | 13.321     | 13.321     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040652   | 0.040652   | 0.040652   |   0.0 |  0.30
Output  | 5.7007e-05 | 5.7007e-05 | 5.7007e-05 |   0.0 |  0.00
Modify  | 0.13803    | 0.13803    | 0.13803    |   0.0 |  1.02
Other   |            | 0.02136    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349820.0 ave      349820 max      349820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349820
Ave neighs/atom = 174.91000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T293.15.out"  else  "print 'not_converged'  file output/vol_T293.15.out"
print '${V}'  file output/vol_T293.15.out
22265.572327314

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0