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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.938573092222214*${_u_distance}
variable latticeconst_converted equal 2.938573092222214*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.93857309222221
Lattice spacing in x,y,z = 2.9385731 2.9385731 2.9385731
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (29.385731 29.385731 29.385731)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (29.385731 29.385731 29.385731)
  create_atoms CPU = 0.001 seconds

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

kim_interactions Cr

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

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


mass          1 ${mass_converted}
mass          1 51.9961

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

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 25375.2010949908 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_677715648236_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.196 | 4.196 | 4.196 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -6964.5054   -6964.5054   -7045.4205   -7045.4205       313.15       313.15    25375.201    25375.201    3405.9462    3405.9462 
    1000   -7059.3407   -7059.3407   -7140.0225   -7140.0225    312.24658    312.24658    24149.108    24149.108    999.16219    999.16219 
Loop time of 13.2509 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.520 ns/day, 3.681 hours/ns, 75.467 timesteps/s
98.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.941     | 12.941     | 12.941     |   0.0 | 97.66
Neigh   | 0.082496   | 0.082496   | 0.082496   |   0.0 |  0.62
Comm    | 0.045928   | 0.045928   | 0.045928   |   0.0 |  0.35
Output  | 0.00027965 | 0.00027965 | 0.00027965 |   0.0 |  0.00
Modify  | 0.1542     | 0.1542     | 0.1542     |   0.0 |  1.16
Other   |            | 0.0274     |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5220.00 ave        5220 max        5220 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      306314.0 ave      306314 max      306314 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 306314
Ave neighs/atom = 153.15700
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -7059.3407   -7059.3407   -7140.0225   -7140.0225    312.24658    312.24658    24149.108    24149.108    999.16219    999.16219 
    2000   -7108.6804   -7108.6804   -7189.6048   -7189.6048    313.18577    313.18577    23601.026    23601.026   -1106.1625   -1106.1625 
Loop time of 13.0146 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.639 ns/day, 3.615 hours/ns, 76.837 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.727     | 12.727     | 12.727     |   0.0 | 97.79
Neigh   | 0.081648   | 0.081648   | 0.081648   |   0.0 |  0.63
Comm    | 0.041131   | 0.041131   | 0.041131   |   0.0 |  0.32
Output  | 0.00011043 | 0.00011043 | 0.00011043 |   0.0 |  0.00
Modify  | 0.14177    | 0.14177    | 0.14177    |   0.0 |  1.09
Other   |            | 0.02332    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5175.00 ave        5175 max        5175 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      312394.0 ave      312394 max      312394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312394
Ave neighs/atom = 156.19700
Neighbor list builds = 4
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -7108.6804   -7108.6804   -7189.6048   -7189.6048    313.18577    313.18577    23601.026    23601.026   -1106.1625   -1106.1625 
    3000   -7112.9943   -7112.9943   -7193.0425   -7193.0425    309.79475    309.79475    23557.766    23557.766    3008.9305    3008.9305 
Loop time of 12.9452 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.674 ns/day, 3.596 hours/ns, 77.249 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.699     | 12.699     | 12.699     |   0.0 | 98.10
Neigh   | 0.040402   | 0.040402   | 0.040402   |   0.0 |  0.31
Comm    | 0.040461   | 0.040461   | 0.040461   |   0.0 |  0.31
Output  | 0.00012001 | 0.00012001 | 0.00012001 |   0.0 |  0.00
Modify  | 0.14115    | 0.14115    | 0.14115    |   0.0 |  1.09
Other   |            | 0.02424    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5140.00 ave        5140 max        5140 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310638.0 ave      310638 max      310638 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310638
Ave neighs/atom = 155.31900
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -7112.9943   -7112.9943   -7193.0425   -7193.0425    309.79475    309.79475    23557.766    23557.766    3008.9305    3008.9305 
    4000   -7114.1783   -7114.1783   -7197.2815   -7197.2815    321.61803    321.61803    23564.323    23564.323    330.70219    330.70219 
Loop time of 12.8185 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.740 ns/day, 3.561 hours/ns, 78.012 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.595     | 12.595     | 12.595     |   0.0 | 98.25
Neigh   | 0.020221   | 0.020221   | 0.020221   |   0.0 |  0.16
Comm    | 0.040109   | 0.040109   | 0.040109   |   0.0 |  0.31
Output  | 0.00012801 | 0.00012801 | 0.00012801 |   0.0 |  0.00
Modify  | 0.14008    | 0.14008    | 0.14008    |   0.0 |  1.09
Other   |            | 0.02338    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5153.00 ave        5153 max        5153 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310934.0 ave      310934 max      310934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310934
Ave neighs/atom = 155.46700
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 = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -7114.1783   -7114.1783   -7197.2815   -7197.2815    321.61803    321.61803    23564.323    23564.323    330.70219    330.70219 
    5000   -7123.3397   -7123.3397   -7199.3326   -7199.3326    294.10038    294.10038    23504.643    23504.643    2715.2037    2715.2037 
Loop time of 12.7955 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.752 ns/day, 3.554 hours/ns, 78.153 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.552     | 12.552     | 12.552     |   0.0 | 98.09
Neigh   | 0.039928   | 0.039928   | 0.039928   |   0.0 |  0.31
Comm    | 0.04007    | 0.04007    | 0.04007    |   0.0 |  0.31
Output  | 5.6598e-05 | 5.6598e-05 | 5.6598e-05 |   0.0 |  0.00
Modify  | 0.14047    | 0.14047    | 0.14047    |   0.0 |  1.10
Other   |            | 0.02337    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5139.00 ave        5139 max        5139 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310960.0 ave      310960 max      310960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310960
Ave neighs/atom = 155.48000
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 = 308.44627194502, Press = 173.141917278768
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -7123.3397   -7123.3397   -7199.3326   -7199.3326    294.10038    294.10038    23504.643    23504.643    2715.2037    2715.2037 
    6000   -7118.5641   -7118.5641    -7199.882    -7199.882    314.70878    314.70878    23516.428    23516.428    3704.3699    3704.3699 
Loop time of 12.9641 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.665 ns/day, 3.601 hours/ns, 77.136 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.749     | 12.749     | 12.749     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040888   | 0.040888   | 0.040888   |   0.0 |  0.32
Output  | 8.6006e-05 | 8.6006e-05 | 8.6006e-05 |   0.0 |  0.00
Modify  | 0.14987    | 0.14987    | 0.14987    |   0.0 |  1.16
Other   |            | 0.02397    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311238.0 ave      311238 max      311238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311238
Ave neighs/atom = 155.61900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 310.218811323912, Press = -5.68199945324559
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -7118.5641   -7118.5641    -7199.882    -7199.882    314.70878    314.70878    23516.428    23516.428    3704.3699    3704.3699 
    7000   -7121.8053   -7121.8053   -7201.1446   -7201.1446    307.05124    307.05124    23566.677    23566.677    -977.6483    -977.6483 
Loop time of 12.64 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.835 ns/day, 3.511 hours/ns, 79.114 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.438     | 12.438     | 12.438     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039423   | 0.039423   | 0.039423   |   0.0 |  0.31
Output  | 5.547e-05  | 5.547e-05  | 5.547e-05  |   0.0 |  0.00
Modify  | 0.14125    | 0.14125    | 0.14125    |   0.0 |  1.12
Other   |            | 0.02129    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5155.00 ave        5155 max        5155 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311178.0 ave      311178 max      311178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311178
Ave neighs/atom = 155.58900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 310.626764556839, Press = -19.2688992168608
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -7121.8053   -7121.8053   -7201.1446   -7201.1446    307.05124    307.05124    23566.677    23566.677    -977.6483    -977.6483 
    8000   -7119.2839   -7119.2839   -7200.7943   -7200.7943    315.45375    315.45375    23542.378    23542.378    1699.4028    1699.4028 
Loop time of 12.644 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.833 ns/day, 3.512 hours/ns, 79.089 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.441     | 12.441     | 12.441     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039394   | 0.039394   | 0.039394   |   0.0 |  0.31
Output  | 7.3182e-05 | 7.3182e-05 | 7.3182e-05 |   0.0 |  0.00
Modify  | 0.14182    | 0.14182    | 0.14182    |   0.0 |  1.12
Other   |            | 0.02166    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5170.00 ave        5170 max        5170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311154.0 ave      311154 max      311154 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311154
Ave neighs/atom = 155.57700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.613611102429, Press = -5.11453543807649
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -7119.2839   -7119.2839   -7200.7943   -7200.7943    315.45375    315.45375    23542.378    23542.378    1699.4028    1699.4028 
    9000   -7119.4323   -7119.4323   -7201.3134   -7201.3134    316.88832    316.88832    23558.108    23558.108    985.04165    985.04165 
Loop time of 12.6416 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.835 ns/day, 3.512 hours/ns, 79.104 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.438     | 12.438     | 12.438     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039386   | 0.039386   | 0.039386   |   0.0 |  0.31
Output  | 5.4861e-05 | 5.4861e-05 | 5.4861e-05 |   0.0 |  0.00
Modify  | 0.14224    | 0.14224    | 0.14224    |   0.0 |  1.13
Other   |            | 0.02165    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5179.00 ave        5179 max        5179 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311140.0 ave      311140 max      311140 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311140
Ave neighs/atom = 155.57000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.719928686428, Press = -3.80492418652921
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -7119.4323   -7119.4323   -7201.3134   -7201.3134    316.88832    316.88832    23558.108    23558.108    985.04165    985.04165 
   10000   -7121.5598   -7121.5598   -7203.0158   -7203.0158    315.24312    315.24312    23565.359    23565.359   -293.37976   -293.37976 
Loop time of 12.6484 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.831 ns/day, 3.513 hours/ns, 79.062 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.446     | 12.446     | 12.446     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039229   | 0.039229   | 0.039229   |   0.0 |  0.31
Output  | 5.4358e-05 | 5.4358e-05 | 5.4358e-05 |   0.0 |  0.00
Modify  | 0.14199    | 0.14199    | 0.14199    |   0.0 |  1.12
Other   |            | 0.0215     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5149.00 ave        5149 max        5149 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310744.0 ave      310744 max      310744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310744
Ave neighs/atom = 155.37200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.36872570962, Press = -13.8030407534046
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -7121.5598   -7121.5598   -7203.0158   -7203.0158    315.24312    315.24312    23565.359    23565.359   -293.37976   -293.37976 
   11000   -7121.6181   -7121.6181   -7200.6992   -7200.6992    306.05205    306.05205    23517.805    23517.805    3348.3863    3348.3863 
Loop time of 12.6109 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.851 ns/day, 3.503 hours/ns, 79.296 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.41      | 12.41      | 12.41      |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038978   | 0.038978   | 0.038978   |   0.0 |  0.31
Output  | 5.5118e-05 | 5.5118e-05 | 5.5118e-05 |   0.0 |  0.00
Modify  | 0.14083    | 0.14083    | 0.14083    |   0.0 |  1.12
Other   |            | 0.02128    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5130.00 ave        5130 max        5130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311092.0 ave      311092 max      311092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311092
Ave neighs/atom = 155.54600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.625957098975, Press = 3.67247311693035
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -7121.6181   -7121.6181   -7200.6992   -7200.6992    306.05205    306.05205    23517.805    23517.805    3348.3863    3348.3863 
   12000   -7119.5413   -7119.5413   -7199.6368   -7199.6368     309.9779     309.9779    23558.268    23558.268    312.84728    312.84728 
Loop time of 12.6276 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.842 ns/day, 3.508 hours/ns, 79.191 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.426     | 12.426     | 12.426     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039347   | 0.039347   | 0.039347   |   0.0 |  0.31
Output  | 8.2139e-05 | 8.2139e-05 | 8.2139e-05 |   0.0 |  0.00
Modify  | 0.14085    | 0.14085    | 0.14085    |   0.0 |  1.12
Other   |            | 0.02166    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5155.00 ave        5155 max        5155 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311696.0 ave      311696 max      311696 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311696
Ave neighs/atom = 155.84800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.739535850083, Press = 3.2031160328357
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -7119.5413   -7119.5413   -7199.6368   -7199.6368     309.9779     309.9779    23558.268    23558.268    312.84728    312.84728 
   13000    -7120.783    -7120.783   -7201.7787   -7201.7787    313.46184    313.46184    23648.334    23648.334     -6045.09     -6045.09 
Loop time of 12.61 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.852 ns/day, 3.503 hours/ns, 79.302 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.408     | 12.408     | 12.408     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039537   | 0.039537   | 0.039537   |   0.0 |  0.31
Output  | 7.5033e-05 | 7.5033e-05 | 7.5033e-05 |   0.0 |  0.00
Modify  | 0.14072    | 0.14072    | 0.14072    |   0.0 |  1.12
Other   |            | 0.02147    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5164.00 ave        5164 max        5164 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310522.0 ave      310522 max      310522 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310522
Ave neighs/atom = 155.26100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.104535948265, Press = 5.52301990846952
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000    -7120.783    -7120.783   -7201.7787   -7201.7787    313.46184    313.46184    23648.334    23648.334     -6045.09     -6045.09 
   14000   -7119.6588   -7119.6588   -7200.5101   -7200.5101    312.90298    312.90298    23555.812    23555.812    337.31025    337.31025 
Loop time of 12.5985 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.858 ns/day, 3.500 hours/ns, 79.375 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.397     | 12.397     | 12.397     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03922    | 0.03922    | 0.03922    |   0.0 |  0.31
Output  | 5.4382e-05 | 5.4382e-05 | 5.4382e-05 |   0.0 |  0.00
Modify  | 0.14068    | 0.14068    | 0.14068    |   0.0 |  1.12
Other   |            | 0.02142    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5155.00 ave        5155 max        5155 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      309564.0 ave      309564 max      309564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 309564
Ave neighs/atom = 154.78200
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 = 312.215749232879, Press = -9.57823035931117
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -7119.6588   -7119.6588   -7200.5101   -7200.5101    312.90298    312.90298    23555.812    23555.812    337.31025    337.31025 
   15000   -7120.5847   -7120.5847   -7198.7164   -7198.7164    302.37756    302.37756    23565.674    23565.674   -390.48206   -390.48206 
Loop time of 12.6108 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.851 ns/day, 3.503 hours/ns, 79.297 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.409     | 12.409     | 12.409     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03921    | 0.03921    | 0.03921    |   0.0 |  0.31
Output  | 8.3552e-05 | 8.3552e-05 | 8.3552e-05 |   0.0 |  0.00
Modify  | 0.14078    | 0.14078    | 0.14078    |   0.0 |  1.12
Other   |            | 0.02144    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5164.00 ave        5164 max        5164 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311108.0 ave      311108 max      311108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311108
Ave neighs/atom = 155.55400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.23023295179, Press = -6.98189810668249
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -7120.5847   -7120.5847   -7198.7164   -7198.7164    302.37756    302.37756    23565.674    23565.674   -390.48206   -390.48206 
   16000   -7121.2358   -7121.2358   -7201.8412   -7201.8412    311.95106    311.95106    23576.842    23576.842   -685.97904   -685.97904 
Loop time of 12.6459 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.832 ns/day, 3.513 hours/ns, 79.077 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    | 12.444     | 12.444     | 12.444     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03923    | 0.03923    | 0.03923    |   0.0 |  0.31
Output  | 5.591e-05  | 5.591e-05  | 5.591e-05  |   0.0 |  0.00
Modify  | 0.14112    | 0.14112    | 0.14112    |   0.0 |  1.12
Other   |            | 0.02143    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5163.00 ave        5163 max        5163 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310692.0 ave      310692 max      310692 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310692
Ave neighs/atom = 155.34600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.012998930047, Press = 2.61751719631575
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -7121.2358   -7121.2358   -7201.8412   -7201.8412    311.95106    311.95106    23576.842    23576.842   -685.97904   -685.97904 
   17000   -7119.3122   -7119.3122   -7201.7968   -7201.7968    319.22423    319.22423    23576.583    23576.583   -837.52844   -837.52844 
Loop time of 12.6387 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.836 ns/day, 3.511 hours/ns, 79.122 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.437     | 12.437     | 12.437     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039348   | 0.039348   | 0.039348   |   0.0 |  0.31
Output  | 8.3276e-05 | 8.3276e-05 | 8.3276e-05 |   0.0 |  0.00
Modify  | 0.14073    | 0.14073    | 0.14073    |   0.0 |  1.11
Other   |            | 0.02136    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5142.00 ave        5142 max        5142 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310572.0 ave      310572 max      310572 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310572
Ave neighs/atom = 155.28600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.113085006295, Press = -1.66076763117419
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -7119.3122   -7119.3122   -7201.7968   -7201.7968    319.22423    319.22423    23576.583    23576.583   -837.52844   -837.52844 
   18000   -7119.0826   -7119.0826   -7199.3627   -7199.3627     310.6922     310.6922    23574.208    23574.208   -1716.6833   -1716.6833 
Loop time of 12.6306 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.841 ns/day, 3.509 hours/ns, 79.173 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.429     | 12.429     | 12.429     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039306   | 0.039306   | 0.039306   |   0.0 |  0.31
Output  | 5.5036e-05 | 5.5036e-05 | 5.5036e-05 |   0.0 |  0.00
Modify  | 0.14077    | 0.14077    | 0.14077    |   0.0 |  1.11
Other   |            | 0.02139    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5152.00 ave        5152 max        5152 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310880.0 ave      310880 max      310880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310880
Ave neighs/atom = 155.44000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.140733204922, Press = -9.2780196102239
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -7119.0826   -7119.0826   -7199.3627   -7199.3627     310.6922     310.6922    23574.208    23574.208   -1716.6833   -1716.6833 
   19000   -7119.5396   -7119.5396   -7201.5226   -7201.5226    317.28243    317.28243    23524.431    23524.431    2810.3544    2810.3544 
Loop time of 12.6248 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.844 ns/day, 3.507 hours/ns, 79.209 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.422     | 12.422     | 12.422     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039384   | 0.039384   | 0.039384   |   0.0 |  0.31
Output  | 5.6101e-05 | 5.6101e-05 | 5.6101e-05 |   0.0 |  0.00
Modify  | 0.1417     | 0.1417     | 0.1417     |   0.0 |  1.12
Other   |            | 0.02164    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5170.00 ave        5170 max        5170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310698.0 ave      310698 max      310698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310698
Ave neighs/atom = 155.34900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.229304938942, Press = -2.54402356463911
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -7119.5396   -7119.5396   -7201.5226   -7201.5226    317.28243    317.28243    23524.431    23524.431    2810.3544    2810.3544 
   20000   -7118.5395   -7118.5395   -7200.6717   -7200.6717    317.86014    317.86014    23539.618    23539.618    1951.6663    1951.6663 
Loop time of 12.6442 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.833 ns/day, 3.512 hours/ns, 79.088 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.441     | 12.441     | 12.441     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039704   | 0.039704   | 0.039704   |   0.0 |  0.31
Output  | 8.7011e-05 | 8.7011e-05 | 8.7011e-05 |   0.0 |  0.00
Modify  | 0.14215    | 0.14215    | 0.14215    |   0.0 |  1.12
Other   |            | 0.02173    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5160.00 ave        5160 max        5160 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311394.0 ave      311394 max      311394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311394
Ave neighs/atom = 155.69700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.152549684782, Press = -0.664663266024099
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -7118.5395   -7118.5395   -7200.6717   -7200.6717    317.86014    317.86014    23539.618    23539.618    1951.6663    1951.6663 
   21000   -7119.9845   -7119.9845    -7201.559    -7201.559    315.70176    315.70176    23586.837    23586.837   -1185.4841   -1185.4841 
Loop time of 12.6147 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.849 ns/day, 3.504 hours/ns, 79.273 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.412     | 12.412     | 12.412     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039517   | 0.039517   | 0.039517   |   0.0 |  0.31
Output  | 5.566e-05  | 5.566e-05  | 5.566e-05  |   0.0 |  0.00
Modify  | 0.1415     | 0.1415     | 0.1415     |   0.0 |  1.12
Other   |            | 0.02135    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310952.0 ave      310952 max      310952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310952
Ave neighs/atom = 155.47600
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 = 312.100015281295, Press = 1.14796666421144
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -7119.9845   -7119.9845    -7201.559    -7201.559    315.70176    315.70176    23586.837    23586.837   -1185.4841   -1185.4841 
   22000   -7120.0356   -7120.0356   -7199.9273   -7199.9273    309.18901    309.18901    23586.906    23586.906   -2156.0813   -2156.0813 
Loop time of 12.6184 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.847 ns/day, 3.505 hours/ns, 79.249 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.416     | 12.416     | 12.416     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039351   | 0.039351   | 0.039351   |   0.0 |  0.31
Output  | 5.5642e-05 | 5.5642e-05 | 5.5642e-05 |   0.0 |  0.00
Modify  | 0.14124    | 0.14124    | 0.14124    |   0.0 |  1.12
Other   |            | 0.02134    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5151.00 ave        5151 max        5151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310724.0 ave      310724 max      310724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310724
Ave neighs/atom = 155.36200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.19486215353, Press = 1.15108003125995
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -7120.0356   -7120.0356   -7199.9273   -7199.9273    309.18901    309.18901    23586.906    23586.906   -2156.0813   -2156.0813 
   23000   -7121.0328   -7121.0328   -7200.2524   -7200.2524    306.58814    306.58814    23572.159    23572.159    78.974556    78.974556 
Loop time of 12.6425 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.834 ns/day, 3.512 hours/ns, 79.098 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.441     | 12.441     | 12.441     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039521   | 0.039521   | 0.039521   |   0.0 |  0.31
Output  | 5.5204e-05 | 5.5204e-05 | 5.5204e-05 |   0.0 |  0.00
Modify  | 0.14083    | 0.14083    | 0.14083    |   0.0 |  1.11
Other   |            | 0.02146    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5159.00 ave        5159 max        5159 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310812.0 ave      310812 max      310812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310812
Ave neighs/atom = 155.40600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.159027427789, Press = -3.80694611134551
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -7121.0328   -7121.0328   -7200.2524   -7200.2524    306.58814    306.58814    23572.159    23572.159    78.974556    78.974556 
   24000   -7121.7584   -7121.7584   -7202.0455   -7202.0455    310.71924    310.71924    23567.701    23567.701   -1141.4137   -1141.4137 
Loop time of 12.2145 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.870 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.021     | 12.021     | 12.021     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038723   | 0.038723   | 0.038723   |   0.0 |  0.32
Output  | 5.5188e-05 | 5.5188e-05 | 5.5188e-05 |   0.0 |  0.00
Modify  | 0.13407    | 0.13407    | 0.13407    |   0.0 |  1.10
Other   |            | 0.02075    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310650.0 ave      310650 max      310650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310650
Ave neighs/atom = 155.32500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.060449933841, Press = -2.28311556291239
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -7121.7584   -7121.7584   -7202.0455   -7202.0455    310.71924    310.71924    23567.701    23567.701   -1141.4137   -1141.4137 
   25000   -7118.5091   -7118.5091   -7200.2984   -7200.2984    316.53316    316.53316    23527.041    23527.041     3327.228     3327.228 
Loop time of 12.2013 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.081 ns/day, 3.389 hours/ns, 81.958 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    | 12.008     | 12.008     | 12.008     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038647   | 0.038647   | 0.038647   |   0.0 |  0.32
Output  | 7.6958e-05 | 7.6958e-05 | 7.6958e-05 |   0.0 |  0.00
Modify  | 0.13423    | 0.13423    | 0.13423    |   0.0 |  1.10
Other   |            | 0.02061    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5159.00 ave        5159 max        5159 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310434.0 ave      310434 max      310434 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310434
Ave neighs/atom = 155.21700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.142971443986, Press = 0.15536396859282
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -7118.5091   -7118.5091   -7200.2984   -7200.2984    316.53316    316.53316    23527.041    23527.041     3327.228     3327.228 
   26000   -7119.8744   -7119.8744   -7201.0325   -7201.0325    314.09032    314.09032    23570.937    23570.937   -1140.1223   -1140.1223 
Loop time of 12.2168 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.394 hours/ns, 81.854 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    | 12.024     | 12.024     | 12.024     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038626   | 0.038626   | 0.038626   |   0.0 |  0.32
Output  | 5.2584e-05 | 5.2584e-05 | 5.2584e-05 |   0.0 |  0.00
Modify  | 0.13408    | 0.13408    | 0.13408    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5150.00 ave        5150 max        5150 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311458.0 ave      311458 max      311458 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311458
Ave neighs/atom = 155.72900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.204689959262, Press = 2.40532828921525
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -7119.8744   -7119.8744   -7201.0325   -7201.0325    314.09032    314.09032    23570.937    23570.937   -1140.1223   -1140.1223 
   27000   -7117.6332   -7117.6332   -7200.4776   -7200.4776    320.61676    320.61676    23597.338    23597.338   -1703.1809   -1703.1809 
Loop time of 12.1886 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.089 ns/day, 3.386 hours/ns, 82.044 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.995     | 11.995     | 11.995     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03873    | 0.03873    | 0.03873    |   0.0 |  0.32
Output  | 5.409e-05  | 5.409e-05  | 5.409e-05  |   0.0 |  0.00
Modify  | 0.1342     | 0.1342     | 0.1342     |   0.0 |  1.10
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5169.00 ave        5169 max        5169 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310682.0 ave      310682 max      310682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310682
Ave neighs/atom = 155.34100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.393237825091, Press = 0.270633642632144
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -7117.6332   -7117.6332   -7200.4776   -7200.4776    320.61676    320.61676    23597.338    23597.338   -1703.1809   -1703.1809 
   28000   -7121.0396   -7121.0396   -7200.6796   -7200.6796    308.21481    308.21481    23600.256    23600.256   -2830.2301   -2830.2301 
Loop time of 12.2086 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.909 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.015     | 12.015     | 12.015     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038782   | 0.038782   | 0.038782   |   0.0 |  0.32
Output  | 5.3733e-05 | 5.3733e-05 | 5.3733e-05 |   0.0 |  0.00
Modify  | 0.13431    | 0.13431    | 0.13431    |   0.0 |  1.10
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310420.0 ave      310420 max      310420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310420
Ave neighs/atom = 155.21000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.426056303001, Press = -2.36120351161796
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -7121.0396   -7121.0396   -7200.6796   -7200.6796    308.21481    308.21481    23600.256    23600.256   -2830.2301   -2830.2301 
   29000   -7120.7786   -7120.7786   -7201.1687   -7201.1687    311.11787    311.11787    23541.064    23541.064    1615.4319    1615.4319 
Loop time of 12.232 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.063 ns/day, 3.398 hours/ns, 81.753 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.038     | 12.038     | 12.038     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038664   | 0.038664   | 0.038664   |   0.0 |  0.32
Output  | 5.2831e-05 | 5.2831e-05 | 5.2831e-05 |   0.0 |  0.00
Modify  | 0.13498    | 0.13498    | 0.13498    |   0.0 |  1.10
Other   |            | 0.02069    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310404.0 ave      310404 max      310404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310404
Ave neighs/atom = 155.20200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.454814463525, Press = -4.45446478806277
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -7120.7786   -7120.7786   -7201.1687   -7201.1687    311.11787    311.11787    23541.064    23541.064    1615.4319    1615.4319 
   30000   -7120.0121   -7120.0121   -7200.4727   -7200.4727    311.39077    311.39077    23528.832    23528.832    2407.5262    2407.5262 
Loop time of 12.2316 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.064 ns/day, 3.398 hours/ns, 81.755 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.037     | 12.037     | 12.037     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038628   | 0.038628   | 0.038628   |   0.0 |  0.32
Output  | 7.7443e-05 | 7.7443e-05 | 7.7443e-05 |   0.0 |  0.00
Modify  | 0.13483    | 0.13483    | 0.13483    |   0.0 |  1.10
Other   |            | 0.02067    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5172.00 ave        5172 max        5172 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311366.0 ave      311366 max      311366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311366
Ave neighs/atom = 155.68300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.321924212028, Press = -0.0989143103324277
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -7120.0121   -7120.0121   -7200.4727   -7200.4727    311.39077    311.39077    23528.832    23528.832    2407.5262    2407.5262 
   31000   -7120.4402   -7120.4402   -7200.7439   -7200.7439    310.78348    310.78348    23548.386    23548.386    1124.0355    1124.0355 
Loop time of 12.2172 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.394 hours/ns, 81.852 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.023     | 12.023     | 12.023     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038825   | 0.038825   | 0.038825   |   0.0 |  0.32
Output  | 5.3781e-05 | 5.3781e-05 | 5.3781e-05 |   0.0 |  0.00
Modify  | 0.13449    | 0.13449    | 0.13449    |   0.0 |  1.10
Other   |            | 0.02063    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310960.0 ave      310960 max      310960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310960
Ave neighs/atom = 155.48000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.312377266994, Press = 0.986764828912444
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -7120.4402   -7120.4402   -7200.7439   -7200.7439    310.78348    310.78348    23548.386    23548.386    1124.0355    1124.0355 
   32000   -7122.0984   -7122.0984   -7201.0739   -7201.0739     305.6435     305.6435    23595.122    23595.122   -2724.6937   -2724.6937 
Loop time of 12.2204 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.070 ns/day, 3.395 hours/ns, 81.830 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.027     | 12.027     | 12.027     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038767   | 0.038767   | 0.038767   |   0.0 |  0.32
Output  | 5.3533e-05 | 5.3533e-05 | 5.3533e-05 |   0.0 |  0.00
Modify  | 0.13444    | 0.13444    | 0.13444    |   0.0 |  1.10
Other   |            | 0.02064    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5159.00 ave        5159 max        5159 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310866.0 ave      310866 max      310866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310866
Ave neighs/atom = 155.43300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.194192614696, Press = -1.15559966884232
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -7122.0984   -7122.0984   -7201.0739   -7201.0739     305.6435     305.6435    23595.122    23595.122   -2724.6937   -2724.6937 
   33000   -7119.6595   -7119.6595   -7201.6142   -7201.6142    317.17323    317.17323    23530.892    23530.892    2907.2292    2907.2292 
Loop time of 12.2424 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.057 ns/day, 3.401 hours/ns, 81.683 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    | 12.048     | 12.048     | 12.048     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038789   | 0.038789   | 0.038789   |   0.0 |  0.32
Output  | 5.2819e-05 | 5.2819e-05 | 5.2819e-05 |   0.0 |  0.00
Modify  | 0.13452    | 0.13452    | 0.13452    |   0.0 |  1.10
Other   |            | 0.02066    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5159.00 ave        5159 max        5159 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310452.0 ave      310452 max      310452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310452
Ave neighs/atom = 155.22600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.217519486834, Press = -1.49043108525299
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -7119.6595   -7119.6595   -7201.6142   -7201.6142    317.17323    317.17323    23530.892    23530.892    2907.2292    2907.2292 
   34000   -7121.7107   -7121.7107   -7201.4114   -7201.4114    308.45023    308.45023     23567.27     23567.27   -610.95233   -610.95233 
Loop time of 12.2302 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.064 ns/day, 3.397 hours/ns, 81.765 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.036     | 12.036     | 12.036     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038688   | 0.038688   | 0.038688   |   0.0 |  0.32
Output  | 5.2442e-05 | 5.2442e-05 | 5.2442e-05 |   0.0 |  0.00
Modify  | 0.1346     | 0.1346     | 0.1346     |   0.0 |  1.10
Other   |            | 0.02061    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5146.00 ave        5146 max        5146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311236.0 ave      311236 max      311236 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311236
Ave neighs/atom = 155.61800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.139530054635, Press = -1.50176255990219
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -7121.7107   -7121.7107   -7201.4114   -7201.4114    308.45023    308.45023     23567.27     23567.27   -610.95233   -610.95233 
   35000    -7119.648    -7119.648    -7200.899    -7200.899    314.44966    314.44966    23547.845    23547.845    2006.5276    2006.5276 
Loop time of 12.2109 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.894 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038833   | 0.038833   | 0.038833   |   0.0 |  0.32
Output  | 7.4936e-05 | 7.4936e-05 | 7.4936e-05 |   0.0 |  0.00
Modify  | 0.13426    | 0.13426    | 0.13426    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5160.00 ave        5160 max        5160 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310606.0 ave      310606 max      310606 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310606
Ave neighs/atom = 155.30300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.135474425576, Press = 0.823244220747055
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000    -7119.648    -7119.648    -7200.899    -7200.899    314.44966    314.44966    23547.845    23547.845    2006.5276    2006.5276 
   36000   -7116.8592   -7116.8592   -7197.9085   -7197.9085    313.66937    313.66937    23589.537    23589.537   -1972.9771   -1972.9771 
Loop time of 12.208 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.913 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.015     | 12.015     | 12.015     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038797   | 0.038797   | 0.038797   |   0.0 |  0.32
Output  | 6.8444e-05 | 6.8444e-05 | 6.8444e-05 |   0.0 |  0.00
Modify  | 0.13408    | 0.13408    | 0.13408    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5170.00 ave        5170 max        5170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310978.0 ave      310978 max      310978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310978
Ave neighs/atom = 155.48900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.154242518573, Press = -0.641088282764885
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -7116.8592   -7116.8592   -7197.9085   -7197.9085    313.66937    313.66937    23589.537    23589.537   -1972.9771   -1972.9771 
   37000   -7119.8852   -7119.8852   -7200.3511   -7200.3511    311.41131    311.41131    23570.568    23570.568   -276.19376   -276.19376 
Loop time of 12.195 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.085 ns/day, 3.388 hours/ns, 82.001 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.002     | 12.002     | 12.002     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038665   | 0.038665   | 0.038665   |   0.0 |  0.32
Output  | 5.0513e-05 | 5.0513e-05 | 5.0513e-05 |   0.0 |  0.00
Modify  | 0.13376    | 0.13376    | 0.13376    |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310470.0 ave      310470 max      310470 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310470
Ave neighs/atom = 155.23500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.179253698617, Press = 0.70713586427736
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -7119.8852   -7119.8852   -7200.3511   -7200.3511    311.41131    311.41131    23570.568    23570.568   -276.19376   -276.19376 
   38000   -7118.8156   -7118.8156   -7199.7922   -7199.7922    313.38782    313.38782    23584.053    23584.053    -1586.824    -1586.824 
Loop time of 12.2221 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.069 ns/day, 3.395 hours/ns, 81.819 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.028     | 12.028     | 12.028     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038723   | 0.038723   | 0.038723   |   0.0 |  0.32
Output  | 4.1502e-05 | 4.1502e-05 | 4.1502e-05 |   0.0 |  0.00
Modify  | 0.13429    | 0.13429    | 0.13429    |   0.0 |  1.10
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311036.0 ave      311036 max      311036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311036
Ave neighs/atom = 155.51800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.209969910848, Press = -1.91725559457416
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -7118.8156   -7118.8156   -7199.7922   -7199.7922    313.38782    313.38782    23584.053    23584.053    -1586.824    -1586.824 
   39000   -7121.0933   -7121.0933   -7201.7545   -7201.7545    312.16707    312.16707     23540.35     23540.35    1787.2642    1787.2642 
Loop time of 12.2145 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.870 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.021     | 12.021     | 12.021     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038783   | 0.038783   | 0.038783   |   0.0 |  0.32
Output  | 4.1743e-05 | 4.1743e-05 | 4.1743e-05 |   0.0 |  0.00
Modify  | 0.13425    | 0.13425    | 0.13425    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310560.0 ave      310560 max      310560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310560
Ave neighs/atom = 155.28000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.207282695834, Press = -1.32058865550502
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -7121.0933   -7121.0933   -7201.7545   -7201.7545    312.16707    312.16707     23540.35     23540.35    1787.2642    1787.2642 
   40000   -7119.3025   -7119.3025   -7202.1178   -7202.1178    320.50345    320.50345     23558.27     23558.27    70.674039    70.674039 
Loop time of 12.2228 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.069 ns/day, 3.395 hours/ns, 81.815 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.029     | 12.029     | 12.029     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038627   | 0.038627   | 0.038627   |   0.0 |  0.32
Output  | 6.5861e-05 | 6.5861e-05 | 6.5861e-05 |   0.0 |  0.00
Modify  | 0.13423    | 0.13423    | 0.13423    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5140.00 ave        5140 max        5140 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311290.0 ave      311290 max      311290 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311290
Ave neighs/atom = 155.64500
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 = 312.280199663419, Press = 1.75719245973559
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -7119.3025   -7119.3025   -7202.1178   -7202.1178    320.50345    320.50345     23558.27     23558.27    70.674039    70.674039 
   41000   -7120.8687   -7120.8687   -7201.3979   -7201.3979    311.65652    311.65652    23575.595    23575.595   -1371.5015   -1371.5015 
Loop time of 12.216 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.860 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.023     | 12.023     | 12.023     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038642   | 0.038642   | 0.038642   |   0.0 |  0.32
Output  | 4.6672e-05 | 4.6672e-05 | 4.6672e-05 |   0.0 |  0.00
Modify  | 0.13413    | 0.13413    | 0.13413    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5167.00 ave        5167 max        5167 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311166.0 ave      311166 max      311166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311166
Ave neighs/atom = 155.58300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.280440038513, Press = 0.744806126048455
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -7120.8687   -7120.8687   -7201.3979   -7201.3979    311.65652    311.65652    23575.595    23575.595   -1371.5015   -1371.5015 
   42000     -7123.61     -7123.61   -7203.9326   -7203.9326     310.8566     310.8566    23592.469    23592.469   -2244.7487   -2244.7487 
Loop time of 12.2177 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.394 hours/ns, 81.848 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.024     | 12.024     | 12.024     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038688   | 0.038688   | 0.038688   |   0.0 |  0.32
Output  | 4.1924e-05 | 4.1924e-05 | 4.1924e-05 |   0.0 |  0.00
Modify  | 0.13398    | 0.13398    | 0.13398    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5160.00 ave        5160 max        5160 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310924.0 ave      310924 max      310924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310924
Ave neighs/atom = 155.46200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.305243668258, Press = -1.37922327225727
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000     -7123.61     -7123.61   -7203.9326   -7203.9326     310.8566     310.8566    23592.469    23592.469   -2244.7487   -2244.7487 
   43000    -7119.391    -7119.391   -7199.4521   -7199.4521    309.84466    309.84466    23575.185    23575.185   -531.91412   -531.91412 
Loop time of 12.2194 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.837 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.026     | 12.026     | 12.026     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038842   | 0.038842   | 0.038842   |   0.0 |  0.32
Output  | 4.4457e-05 | 4.4457e-05 | 4.4457e-05 |   0.0 |  0.00
Modify  | 0.13404    | 0.13404    | 0.13404    |   0.0 |  1.10
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5160.00 ave        5160 max        5160 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310568.0 ave      310568 max      310568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310568
Ave neighs/atom = 155.28400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.249263453742, Press = -2.50122375687664
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000    -7119.391    -7119.391   -7199.4521   -7199.4521    309.84466    309.84466    23575.185    23575.185   -531.91412   -531.91412 
   44000    -7120.684    -7120.684   -7202.7104   -7202.7104    317.45079    317.45079    23525.581    23525.581    2651.2524    2651.2524 
Loop time of 12.21 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.900 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038744   | 0.038744   | 0.038744   |   0.0 |  0.32
Output  | 5.7828e-05 | 5.7828e-05 | 5.7828e-05 |   0.0 |  0.00
Modify  | 0.13404    | 0.13404    | 0.13404    |   0.0 |  1.10
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5153.00 ave        5153 max        5153 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310668.0 ave      310668 max      310668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310668
Ave neighs/atom = 155.33400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.288062184636, Press = -0.167003439228045
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000    -7120.684    -7120.684   -7202.7104   -7202.7104    317.45079    317.45079    23525.581    23525.581    2651.2524    2651.2524 
   45000   -7116.8211   -7116.8211   -7200.6768   -7200.6768    324.53018    324.53018    23575.715    23575.715    -590.3253    -590.3253 
Loop time of 12.2239 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.068 ns/day, 3.396 hours/ns, 81.807 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.03      | 12.03      | 12.03      |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03865    | 0.03865    | 0.03865    |   0.0 |  0.32
Output  | 5.942e-05  | 5.942e-05  | 5.942e-05  |   0.0 |  0.00
Modify  | 0.13463    | 0.13463    | 0.13463    |   0.0 |  1.10
Other   |            | 0.0207     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5169.00 ave        5169 max        5169 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311434.0 ave      311434 max      311434 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311434
Ave neighs/atom = 155.71700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.348743656247, Press = 0.273721610433819
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -7116.8211   -7116.8211   -7200.6768   -7200.6768    324.53018    324.53018    23575.715    23575.715    -590.3253    -590.3253 
   46000   -7121.5641   -7121.5641   -7200.0552   -7200.0552    303.76876    303.76876    23519.012    23519.012    3864.1105    3864.1105 
Loop time of 12.2165 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.393 hours/ns, 81.856 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    | 12.023     | 12.023     | 12.023     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038565   | 0.038565   | 0.038565   |   0.0 |  0.32
Output  | 5.752e-05  | 5.752e-05  | 5.752e-05  |   0.0 |  0.00
Modify  | 0.13423    | 0.13423    | 0.13423    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5177.00 ave        5177 max        5177 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310814.0 ave      310814 max      310814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310814
Ave neighs/atom = 155.40700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.369216332786, Press = 2.19380456158992
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -7121.5641   -7121.5641   -7200.0552   -7200.0552    303.76876    303.76876    23519.012    23519.012    3864.1105    3864.1105 
   47000   -7120.7969   -7120.7969   -7200.4163   -7200.4163    308.13548    308.13548    23566.804    23566.804   -704.06415   -704.06415 
Loop time of 12.214 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.873 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.021     | 12.021     | 12.021     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038809   | 0.038809   | 0.038809   |   0.0 |  0.32
Output  | 5.6706e-05 | 5.6706e-05 | 5.6706e-05 |   0.0 |  0.00
Modify  | 0.13401    | 0.13401    | 0.13401    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5167.00 ave        5167 max        5167 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311564.0 ave      311564 max      311564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311564
Ave neighs/atom = 155.78200
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 = 312.431056818087, Press = -0.847625264656728
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -7120.7969   -7120.7969   -7200.4163   -7200.4163    308.13548    308.13548    23566.804    23566.804   -704.06415   -704.06415 
   48000   -7115.1884   -7115.1884   -7199.8232   -7199.8232    327.54538    327.54538    23563.747    23563.747   -158.55419   -158.55419 
Loop time of 12.1989 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.083 ns/day, 3.389 hours/ns, 81.975 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.006     | 12.006     | 12.006     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038448   | 0.038448   | 0.038448   |   0.0 |  0.32
Output  | 4.5943e-05 | 4.5943e-05 | 4.5943e-05 |   0.0 |  0.00
Modify  | 0.1339     | 0.1339     | 0.1339     |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5145.00 ave        5145 max        5145 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310690.0 ave      310690 max      310690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310690
Ave neighs/atom = 155.34500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.488857429723, Press = 1.23507550644252
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -7115.1884   -7115.1884   -7199.8232   -7199.8232    327.54538    327.54538    23563.747    23563.747   -158.55419   -158.55419 
   49000   -7121.0832   -7121.0832   -7200.7445   -7200.7445     308.2974     308.2974    23588.041    23588.041   -946.92833   -946.92833 
Loop time of 12.2259 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.067 ns/day, 3.396 hours/ns, 81.793 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.032     | 12.032     | 12.032     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038706   | 0.038706   | 0.038706   |   0.0 |  0.32
Output  | 7.664e-05  | 7.664e-05  | 7.664e-05  |   0.0 |  0.00
Modify  | 0.13427    | 0.13427    | 0.13427    |   0.0 |  1.10
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310860.0 ave      310860 max      310860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310860
Ave neighs/atom = 155.43000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.54232774232, Press = 0.702106095793718
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -7121.0832   -7121.0832   -7200.7445   -7200.7445     308.2974     308.2974    23588.041    23588.041   -946.92833   -946.92833 
   50000   -7115.4997   -7115.4997   -7198.7994   -7198.7994    322.37843    322.37843    23580.493    23580.493   -1530.0766   -1530.0766 
Loop time of 12.2157 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.862 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.022     | 12.022     | 12.022     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038526   | 0.038526   | 0.038526   |   0.0 |  0.32
Output  | 5.8957e-05 | 5.8957e-05 | 5.8957e-05 |   0.0 |  0.00
Modify  | 0.13434    | 0.13434    | 0.13434    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5149.00 ave        5149 max        5149 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310576.0 ave      310576 max      310576 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310576
Ave neighs/atom = 155.28800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.617475491833, Press = -1.37286331840774
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -7115.4997   -7115.4997   -7198.7994   -7198.7994    322.37843    322.37843    23580.493    23580.493   -1530.0766   -1530.0766 
   51000   -7118.4757   -7118.4757   -7199.3513   -7199.3513    312.99699    312.99699    23533.975    23533.975    2865.6756    2865.6756 
Loop time of 12.2183 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.845 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.025     | 12.025     | 12.025     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038631   | 0.038631   | 0.038631   |   0.0 |  0.32
Output  | 5.5947e-05 | 5.5947e-05 | 5.5947e-05 |   0.0 |  0.00
Modify  | 0.13434    | 0.13434    | 0.13434    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5145.00 ave        5145 max        5145 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310936.0 ave      310936 max      310936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310936
Ave neighs/atom = 155.46800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.617255657122, Press = -1.05042734667195
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -7118.4757   -7118.4757   -7199.3513   -7199.3513    312.99699    312.99699    23533.975    23533.975    2865.6756    2865.6756 
   52000   -7119.5865   -7119.5865   -7201.2387   -7201.2387    316.00238    316.00238    23576.858    23576.858   -1446.2254   -1446.2254 
Loop time of 12.2229 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.069 ns/day, 3.395 hours/ns, 81.814 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    | 12.029     | 12.029     | 12.029     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038723   | 0.038723   | 0.038723   |   0.0 |  0.32
Output  | 5.8764e-05 | 5.8764e-05 | 5.8764e-05 |   0.0 |  0.00
Modify  | 0.13411    | 0.13411    | 0.13411    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5150.00 ave        5150 max        5150 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311162.0 ave      311162 max      311162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311162
Ave neighs/atom = 155.58100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.638431370615, Press = -0.253584256053607
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -7119.5865   -7119.5865   -7201.2387   -7201.2387    316.00238    316.00238    23576.858    23576.858   -1446.2254   -1446.2254 
   53000   -7120.9961   -7120.9961   -7199.5437   -7199.5437    303.98702    303.98702     23572.66     23572.66   -693.28858   -693.28858 
Loop time of 12.2135 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.877 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.02      | 12.02      | 12.02      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038607   | 0.038607   | 0.038607   |   0.0 |  0.32
Output  | 4.8484e-05 | 4.8484e-05 | 4.8484e-05 |   0.0 |  0.00
Modify  | 0.13406    | 0.13406    | 0.13406    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5149.00 ave        5149 max        5149 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310932.0 ave      310932 max      310932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310932
Ave neighs/atom = 155.46600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.646367601668, Press = -1.04974954508678
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -7120.9961   -7120.9961   -7199.5437   -7199.5437    303.98702    303.98702     23572.66     23572.66   -693.28858   -693.28858 
   54000   -7120.3126   -7120.3126   -7201.5097   -7201.5097    314.24097    314.24097    23556.401    23556.401    49.696354    49.696354 
Loop time of 12.2271 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.066 ns/day, 3.396 hours/ns, 81.785 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.033     | 12.033     | 12.033     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038557   | 0.038557   | 0.038557   |   0.0 |  0.32
Output  | 7.6555e-05 | 7.6555e-05 | 7.6555e-05 |   0.0 |  0.00
Modify  | 0.13443    | 0.13443    | 0.13443    |   0.0 |  1.10
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310970.0 ave      310970 max      310970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310970
Ave neighs/atom = 155.48500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.669303635473, Press = -1.08867845499739
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -7120.3126   -7120.3126   -7201.5097   -7201.5097    314.24097    314.24097    23556.401    23556.401    49.696354    49.696354 
   55000   -7122.5323   -7122.5323   -7201.6264   -7201.6264    306.10244    306.10244    23547.556    23547.556    1028.5481    1028.5481 
Loop time of 12.2024 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.081 ns/day, 3.390 hours/ns, 81.951 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.009     | 12.009     | 12.009     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038693   | 0.038693   | 0.038693   |   0.0 |  0.32
Output  | 5.007e-05  | 5.007e-05  | 5.007e-05  |   0.0 |  0.00
Modify  | 0.13369    | 0.13369    | 0.13369    |   0.0 |  1.10
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5172.00 ave        5172 max        5172 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310758.0 ave      310758 max      310758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310758
Ave neighs/atom = 155.37900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.629668970164, Press = 0.696865576726074
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -7122.5323   -7122.5323   -7201.6264   -7201.6264    306.10244    306.10244    23547.556    23547.556    1028.5481    1028.5481 
   56000   -7118.8367   -7118.8367    -7199.946    -7199.946    313.90137    313.90137    23585.508    23585.508   -2073.2917   -2073.2917 
Loop time of 12.2052 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.932 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.011     | 12.011     | 12.011     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03864    | 0.03864    | 0.03864    |   0.0 |  0.32
Output  | 5.5076e-05 | 5.5076e-05 | 5.5076e-05 |   0.0 |  0.00
Modify  | 0.13471    | 0.13471    | 0.13471    |   0.0 |  1.10
Other   |            | 0.02076    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5148.00 ave        5148 max        5148 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310810.0 ave      310810 max      310810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310810
Ave neighs/atom = 155.40500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.595754207193, Press = 1.92647686461178
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -7118.8367   -7118.8367    -7199.946    -7199.946    313.90137    313.90137    23585.508    23585.508   -2073.2917   -2073.2917 
   57000   -7123.3724   -7123.3724   -7201.5833   -7201.5833     302.6843     302.6843     23583.01     23583.01    -1813.647    -1813.647 
Loop time of 12.2119 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.888 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.019     | 12.019     | 12.019     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038606   | 0.038606   | 0.038606   |   0.0 |  0.32
Output  | 4.8759e-05 | 4.8759e-05 | 4.8759e-05 |   0.0 |  0.00
Modify  | 0.1335     | 0.1335     | 0.1335     |   0.0 |  1.09
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310650.0 ave      310650 max      310650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310650
Ave neighs/atom = 155.32500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.56757734805, Press = 0.402305413959769
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -7123.3724   -7123.3724   -7201.5833   -7201.5833     302.6843     302.6843     23583.01     23583.01    -1813.647    -1813.647 
   58000   -7117.2111   -7117.2111   -7201.5315   -7201.5315    326.32868    326.32868     23559.36     23559.36    840.85649    840.85649 
Loop time of 12.2062 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.926 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038473   | 0.038473   | 0.038473   |   0.0 |  0.32
Output  | 4.248e-05  | 4.248e-05  | 4.248e-05  |   0.0 |  0.00
Modify  | 0.13371    | 0.13371    | 0.13371    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5148.00 ave        5148 max        5148 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310970.0 ave      310970 max      310970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310970
Ave neighs/atom = 155.48500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.562972407738, Press = -0.346552700533792
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -7117.2111   -7117.2111   -7201.5315   -7201.5315    326.32868    326.32868     23559.36     23559.36    840.85649    840.85649 
   59000   -7120.5802   -7120.5802   -7201.3127   -7201.3127    312.44312    312.44312    23551.065    23551.065    1231.9508    1231.9508 
Loop time of 12.2063 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.925 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038708   | 0.038708   | 0.038708   |   0.0 |  0.32
Output  | 4.6678e-05 | 4.6678e-05 | 4.6678e-05 |   0.0 |  0.00
Modify  | 0.13361    | 0.13361    | 0.13361    |   0.0 |  1.09
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5171.00 ave        5171 max        5171 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310910.0 ave      310910 max      310910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310910
Ave neighs/atom = 155.45500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.571156895212, Press = 0.523126740841538
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -7120.5802   -7120.5802   -7201.3127   -7201.3127    312.44312    312.44312    23551.065    23551.065    1231.9508    1231.9508 
   60000   -7120.5572   -7120.5572   -7202.7474   -7202.7474    318.08448    318.08448    23587.355    23587.355   -1608.4022   -1608.4022 
Loop time of 12.2038 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.080 ns/day, 3.390 hours/ns, 81.942 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.011     | 12.011     | 12.011     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038599   | 0.038599   | 0.038599   |   0.0 |  0.32
Output  | 4.2403e-05 | 4.2403e-05 | 4.2403e-05 |   0.0 |  0.00
Modify  | 0.13369    | 0.13369    | 0.13369    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5174.00 ave        5174 max        5174 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310906.0 ave      310906 max      310906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310906
Ave neighs/atom = 155.45300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.561579227738, Press = 0.294479979984581
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -7120.5572   -7120.5572   -7202.7474   -7202.7474    318.08448    318.08448    23587.355    23587.355   -1608.4022   -1608.4022 
   61000   -7122.4611   -7122.4611   -7203.4398   -7203.4398    313.39591    313.39591    23575.925    23575.925    -1566.255    -1566.255 
Loop time of 12.1923 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.086 ns/day, 3.387 hours/ns, 82.019 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12         | 12         | 12         |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038513   | 0.038513   | 0.038513   |   0.0 |  0.32
Output  | 6.5775e-05 | 6.5775e-05 | 6.5775e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5151.00 ave        5151 max        5151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310576.0 ave      310576 max      310576 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310576
Ave neighs/atom = 155.28800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.511041277874, Press = -1.3432003666768
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -7122.4611   -7122.4611   -7203.4398   -7203.4398    313.39591    313.39591    23575.925    23575.925    -1566.255    -1566.255 
   62000   -7119.2667   -7119.2667   -7200.8416   -7200.8416    315.70308    315.70308    23586.238    23586.238   -1623.6953   -1623.6953 
Loop time of 12.2118 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.888 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.019     | 12.019     | 12.019     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038393   | 0.038393   | 0.038393   |   0.0 |  0.31
Output  | 4.5101e-05 | 4.5101e-05 | 4.5101e-05 |   0.0 |  0.00
Modify  | 0.13375    | 0.13375    | 0.13375    |   0.0 |  1.10
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5143.00 ave        5143 max        5143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310884.0 ave      310884 max      310884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310884
Ave neighs/atom = 155.44200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.51056519391, Press = -1.29523619463859
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -7119.2667   -7119.2667   -7200.8416   -7200.8416    315.70308    315.70308    23586.238    23586.238   -1623.6953   -1623.6953 
   63000   -7120.8065   -7120.8065   -7200.5461   -7200.5461    308.60044    308.60044    23536.919    23536.919    2583.6576    2583.6576 
Loop time of 12.2166 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.394 hours/ns, 81.856 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    | 12.024     | 12.024     | 12.024     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038569   | 0.038569   | 0.038569   |   0.0 |  0.32
Output  | 5.9486e-05 | 5.9486e-05 | 5.9486e-05 |   0.0 |  0.00
Modify  | 0.13373    | 0.13373    | 0.13373    |   0.0 |  1.09
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5150.00 ave        5150 max        5150 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310606.0 ave      310606 max      310606 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310606
Ave neighs/atom = 155.30300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.488200403642, Press = -0.272586975026173
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -7120.8065   -7120.8065   -7200.5461   -7200.5461    308.60044    308.60044    23536.919    23536.919    2583.6576    2583.6576 
   64000   -7119.8165   -7119.8165   -7200.4265   -7200.4265    311.96894    311.96894    23581.311    23581.311   -1313.7444   -1313.7444 
Loop time of 12.2194 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.837 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.027     | 12.027     | 12.027     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038442   | 0.038442   | 0.038442   |   0.0 |  0.31
Output  | 5.8285e-05 | 5.8285e-05 | 5.8285e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.09
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5132.00 ave        5132 max        5132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311244.0 ave      311244 max      311244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311244
Ave neighs/atom = 155.62200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.529579453107, Press = 0.365261641803674
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -7119.8165   -7119.8165   -7200.4265   -7200.4265    311.96894    311.96894    23581.311    23581.311   -1313.7444   -1313.7444 
   65000   -7119.5926   -7119.5926   -7198.0434   -7198.0434    303.61282    303.61282    23569.064    23569.064    311.91703    311.91703 
Loop time of 12.2142 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.872 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.021     | 12.021     | 12.021     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038586   | 0.038586   | 0.038586   |   0.0 |  0.32
Output  | 4.7218e-05 | 4.7218e-05 | 4.7218e-05 |   0.0 |  0.00
Modify  | 0.13363    | 0.13363    | 0.13363    |   0.0 |  1.09
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5148.00 ave        5148 max        5148 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310734.0 ave      310734 max      310734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310734
Ave neighs/atom = 155.36700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.529476735518, Press = -0.989505873958112
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -7119.5926   -7119.5926   -7198.0434   -7198.0434    303.61282    303.61282    23569.064    23569.064    311.91703    311.91703 
   66000   -7122.6983   -7122.6983   -7201.2272   -7201.2272    303.91477    303.91477    23558.054    23558.054   -278.75007   -278.75007 
Loop time of 12.2186 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.842 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.026     | 12.026     | 12.026     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038398   | 0.038398   | 0.038398   |   0.0 |  0.31
Output  | 6.7402e-05 | 6.7402e-05 | 6.7402e-05 |   0.0 |  0.00
Modify  | 0.13369    | 0.13369    | 0.13369    |   0.0 |  1.09
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5138.00 ave        5138 max        5138 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310782.0 ave      310782 max      310782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310782
Ave neighs/atom = 155.39100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.530524053073, Press = 0.241443704244213
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -7122.6983   -7122.6983   -7201.2272   -7201.2272    303.91477    303.91477    23558.054    23558.054   -278.75007   -278.75007 
   67000   -7119.4955   -7119.4955   -7201.1787   -7201.1787    316.12244    316.12244    23522.401    23522.401    3987.6346    3987.6346 
Loop time of 12.2229 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.069 ns/day, 3.395 hours/ns, 81.814 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    | 12.03      | 12.03      | 12.03      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038756   | 0.038756   | 0.038756   |   0.0 |  0.32
Output  | 4.5507e-05 | 4.5507e-05 | 4.5507e-05 |   0.0 |  0.00
Modify  | 0.13369    | 0.13369    | 0.13369    |   0.0 |  1.09
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5153.00 ave        5153 max        5153 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310990.0 ave      310990 max      310990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310990
Ave neighs/atom = 155.49500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.482411722066, Press = 0.627420232669602
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -7119.4955   -7119.4955   -7201.1787   -7201.1787    316.12244    316.12244    23522.401    23522.401    3987.6346    3987.6346 
   68000    -7122.598    -7122.598    -7200.616    -7200.616    301.93771    301.93771    23585.549    23585.549   -1739.3372   -1739.3372 
Loop time of 12.2261 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.067 ns/day, 3.396 hours/ns, 81.792 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.033     | 12.033     | 12.033     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038386   | 0.038386   | 0.038386   |   0.0 |  0.31
Output  | 4.503e-05  | 4.503e-05  | 4.503e-05  |   0.0 |  0.00
Modify  | 0.13375    | 0.13375    | 0.13375    |   0.0 |  1.09
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5129.00 ave        5129 max        5129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311240.0 ave      311240 max      311240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311240
Ave neighs/atom = 155.62000
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 = 312.472095089675, Press = -0.0307467713420403
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000    -7122.598    -7122.598    -7200.616    -7200.616    301.93771    301.93771    23585.549    23585.549   -1739.3372   -1739.3372 
   69000   -7117.3089   -7117.3089   -7199.5611   -7199.5611     318.3246     318.3246    23566.826    23566.826   -632.04512   -632.04512 
Loop time of 12.2029 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.080 ns/day, 3.390 hours/ns, 81.948 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.01      | 12.01      | 12.01      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038482   | 0.038482   | 0.038482   |   0.0 |  0.32
Output  | 0.00012217 | 0.00012217 | 0.00012217 |   0.0 |  0.00
Modify  | 0.13364    | 0.13364    | 0.13364    |   0.0 |  1.10
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5149.00 ave        5149 max        5149 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310804.0 ave      310804 max      310804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310804
Ave neighs/atom = 155.40200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.460330533932, Press = 0.0279421286131557
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -7117.3089   -7117.3089   -7199.5611   -7199.5611     318.3246     318.3246    23566.826    23566.826   -632.04512   -632.04512 
   70000   -7119.4434   -7119.4434   -7200.3678   -7200.3678    313.18603    313.18603    23581.417    23581.417    -1790.645    -1790.645 
Loop time of 12.2165 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.393 hours/ns, 81.856 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    | 12.024     | 12.024     | 12.024     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038631   | 0.038631   | 0.038631   |   0.0 |  0.32
Output  | 4.8877e-05 | 4.8877e-05 | 4.8877e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.09
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5179.00 ave        5179 max        5179 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310880.0 ave      310880 max      310880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310880
Ave neighs/atom = 155.44000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.472137200973, Press = -0.625194268782942
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -7119.4434   -7119.4434   -7200.3678   -7200.3678    313.18603    313.18603    23581.417    23581.417    -1790.645    -1790.645 
   71000   -7116.5871   -7116.5871   -7201.1417   -7201.1417    327.23524    327.23524    23567.564    23567.564    541.93601    541.93601 
Loop time of 12.214 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.873 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.021     | 12.021     | 12.021     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038641   | 0.038641   | 0.038641   |   0.0 |  0.32
Output  | 5.2704e-05 | 5.2704e-05 | 5.2704e-05 |   0.0 |  0.00
Modify  | 0.13377    | 0.13377    | 0.13377    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5150.00 ave        5150 max        5150 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310826.0 ave      310826 max      310826 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310826
Ave neighs/atom = 155.41300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.537577785467, Press = -0.287920014379546
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -7116.5871   -7116.5871   -7201.1417   -7201.1417    327.23524    327.23524    23567.564    23567.564    541.93601    541.93601 
   72000   -7121.4822   -7121.4822    -7201.351    -7201.351    309.10043    309.10043    23557.189    23557.189   -106.07951   -106.07951 
Loop time of 12.2096 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.903 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038641   | 0.038641   | 0.038641   |   0.0 |  0.32
Output  | 6.1118e-05 | 6.1118e-05 | 6.1118e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.10
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5147.00 ave        5147 max        5147 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310678.0 ave      310678 max      310678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310678
Ave neighs/atom = 155.33900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.564097246228, Press = -0.172359413097232
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -7121.4822   -7121.4822    -7201.351    -7201.351    309.10043    309.10043    23557.189    23557.189   -106.07951   -106.07951 
   73000   -7116.9597   -7116.9597   -7198.9899   -7198.9899    317.46544    317.46544    23564.255    23564.255   -612.22706   -612.22706 
Loop time of 12.1973 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.084 ns/day, 3.388 hours/ns, 81.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.004     | 12.004     | 12.004     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038858   | 0.038858   | 0.038858   |   0.0 |  0.32
Output  | 4.8992e-05 | 4.8992e-05 | 4.8992e-05 |   0.0 |  0.00
Modify  | 0.13358    | 0.13358    | 0.13358    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5169.00 ave        5169 max        5169 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310890.0 ave      310890 max      310890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310890
Ave neighs/atom = 155.44500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.598629330085, Press = -0.562054828398917
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -7116.9597   -7116.9597   -7198.9899   -7198.9899    317.46544    317.46544    23564.255    23564.255   -612.22706   -612.22706 
   74000   -7122.0757   -7122.0757   -7202.3064   -7202.3064    310.50109    310.50109    23539.526    23539.526    2628.3312    2628.3312 
Loop time of 12.2244 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.068 ns/day, 3.396 hours/ns, 81.804 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.032     | 12.032     | 12.032     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038653   | 0.038653   | 0.038653   |   0.0 |  0.32
Output  | 5.0316e-05 | 5.0316e-05 | 5.0316e-05 |   0.0 |  0.00
Modify  | 0.1336     | 0.1336     | 0.1336     |   0.0 |  1.09
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5137.00 ave        5137 max        5137 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310882.0 ave      310882 max      310882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310882
Ave neighs/atom = 155.44100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.599790810827, Press = -1.37780162636069
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -7122.0757   -7122.0757   -7202.3064   -7202.3064    310.50109    310.50109    23539.526    23539.526    2628.3312    2628.3312 
   75000   -7116.7035   -7116.7035   -7197.3234   -7197.3234    312.00746    312.00746    23551.331    23551.331    625.15004    625.15004 
Loop time of 12.2125 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.883 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.02      | 12.02      | 12.02      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038656   | 0.038656   | 0.038656   |   0.0 |  0.32
Output  | 4.1332e-05 | 4.1332e-05 | 4.1332e-05 |   0.0 |  0.00
Modify  | 0.13363    | 0.13363    | 0.13363    |   0.0 |  1.09
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5150.00 ave        5150 max        5150 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311048.0 ave      311048 max      311048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311048
Ave neighs/atom = 155.52400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.612210925007, Press = -0.117446601851216
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -7116.7035   -7116.7035   -7197.3234   -7197.3234    312.00746    312.00746    23551.331    23551.331    625.15004    625.15004 
   76000   -7118.0847   -7118.0847   -7201.8566   -7201.8566    324.20585    324.20585    23550.706    23550.706    1063.4595    1063.4595 
Loop time of 12.2033 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.080 ns/day, 3.390 hours/ns, 81.945 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.01      | 12.01      | 12.01      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038653   | 0.038653   | 0.038653   |   0.0 |  0.32
Output  | 6.4516e-05 | 6.4516e-05 | 6.4516e-05 |   0.0 |  0.00
Modify  | 0.13376    | 0.13376    | 0.13376    |   0.0 |  1.10
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311064.0 ave      311064 max      311064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311064
Ave neighs/atom = 155.53200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.632192320232, Press = -0.65503081425415
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -7118.0847   -7118.0847   -7201.8566   -7201.8566    324.20585    324.20585    23550.706    23550.706    1063.4595    1063.4595 
   77000   -7123.2839   -7123.2839    -7201.526    -7201.526    302.80525    302.80525    23572.573    23572.573   -624.67339   -624.67339 
Loop time of 12.213 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.880 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.02      | 12.02      | 12.02      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038461   | 0.038461   | 0.038461   |   0.0 |  0.31
Output  | 5.2119e-05 | 5.2119e-05 | 5.2119e-05 |   0.0 |  0.00
Modify  | 0.13371    | 0.13371    | 0.13371    |   0.0 |  1.09
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5149.00 ave        5149 max        5149 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311062.0 ave      311062 max      311062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311062
Ave neighs/atom = 155.53100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.619646435895, Press = 0.220682693278931
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -7123.2839   -7123.2839    -7201.526    -7201.526    302.80525    302.80525    23572.573    23572.573   -624.67339   -624.67339 
   78000   -7118.7021   -7118.7021   -7199.4672   -7199.4672    312.56922    312.56922    23560.672    23560.672    888.18076    888.18076 
Loop time of 12.2095 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.903 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038688   | 0.038688   | 0.038688   |   0.0 |  0.32
Output  | 5.5658e-05 | 5.5658e-05 | 5.5658e-05 |   0.0 |  0.00
Modify  | 0.13369    | 0.13369    | 0.13369    |   0.0 |  1.09
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5163.00 ave        5163 max        5163 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310560.0 ave      310560 max      310560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310560
Ave neighs/atom = 155.28000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.608361417869, Press = -1.40198042991151
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -7118.7021   -7118.7021   -7199.4672   -7199.4672    312.56922    312.56922    23560.672    23560.672    888.18076    888.18076 
   79000   -7121.1525   -7121.1525    -7201.869    -7201.869    312.38108    312.38108    23522.626    23522.626    2137.4483    2137.4483 
Loop time of 12.2097 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.902 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    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038456   | 0.038456   | 0.038456   |   0.0 |  0.31
Output  | 5.0578e-05 | 5.0578e-05 | 5.0578e-05 |   0.0 |  0.00
Modify  | 0.1338     | 0.1338     | 0.1338     |   0.0 |  1.10
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5142.00 ave        5142 max        5142 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310954.0 ave      310954 max      310954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310954
Ave neighs/atom = 155.47700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.63482676073, Press = -0.18576371003492
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -7121.1525   -7121.1525    -7201.869    -7201.869    312.38108    312.38108    23522.626    23522.626    2137.4483    2137.4483 
   80000   -7115.9348   -7115.9348   -7198.3536   -7198.3536    318.96901    318.96901     23562.31     23562.31    368.49468    368.49468 
Loop time of 12.2302 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.064 ns/day, 3.397 hours/ns, 81.764 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.037     | 12.037     | 12.037     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038656   | 0.038656   | 0.038656   |   0.0 |  0.32
Output  | 4.1063e-05 | 4.1063e-05 | 4.1063e-05 |   0.0 |  0.00
Modify  | 0.13382    | 0.13382    | 0.13382    |   0.0 |  1.09
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311180.0 ave      311180 max      311180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311180
Ave neighs/atom = 155.59000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.666478785794, Press = 0.939410396864789
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -7115.9348   -7115.9348   -7198.3536   -7198.3536    318.96901    318.96901     23562.31     23562.31    368.49468    368.49468 
   81000    -7121.688    -7121.688   -7201.1508   -7201.1508    307.52941    307.52941    23570.976    23570.976   -1189.7668   -1189.7668 
Loop time of 12.221 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.070 ns/day, 3.395 hours/ns, 81.827 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.028     | 12.028     | 12.028     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038659   | 0.038659   | 0.038659   |   0.0 |  0.32
Output  | 6.2639e-05 | 6.2639e-05 | 6.2639e-05 |   0.0 |  0.00
Modify  | 0.13385    | 0.13385    | 0.13385    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5173.00 ave        5173 max        5173 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310704.0 ave      310704 max      310704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310704
Ave neighs/atom = 155.35200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.68807258431, Press = -0.918981957801134
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000    -7121.688    -7121.688   -7201.1508   -7201.1508    307.52941    307.52941    23570.976    23570.976   -1189.7668   -1189.7668 
   82000   -7122.4621   -7122.4621   -7202.4904   -7202.4904    309.71772    309.71772    23544.074    23544.074    2185.6913    2185.6913 
Loop time of 12.2018 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.081 ns/day, 3.389 hours/ns, 81.955 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.009     | 12.009     | 12.009     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038633   | 0.038633   | 0.038633   |   0.0 |  0.32
Output  | 5.211e-05  | 5.211e-05  | 5.211e-05  |   0.0 |  0.00
Modify  | 0.13368    | 0.13368    | 0.13368    |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5170.00 ave        5170 max        5170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310722.0 ave      310722 max      310722 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310722
Ave neighs/atom = 155.36100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.68704396715, Press = -0.584451418437405
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -7122.4621   -7122.4621   -7202.4904   -7202.4904    309.71772    309.71772    23544.074    23544.074    2185.6913    2185.6913 
   83000   -7117.7118   -7117.7118   -7197.9445   -7197.9445     310.5088     310.5088    23596.882    23596.882   -1738.7355   -1738.7355 
Loop time of 12.22 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.070 ns/day, 3.394 hours/ns, 81.833 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.027     | 12.027     | 12.027     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038709   | 0.038709   | 0.038709   |   0.0 |  0.32
Output  | 4.5814e-05 | 4.5814e-05 | 4.5814e-05 |   0.0 |  0.00
Modify  | 0.13373    | 0.13373    | 0.13373    |   0.0 |  1.09
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5157.00 ave        5157 max        5157 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311308.0 ave      311308 max      311308 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311308
Ave neighs/atom = 155.65400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.667950546361, Press = 0.470293162983906
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -7117.7118   -7117.7118   -7197.9445   -7197.9445     310.5088     310.5088    23596.882    23596.882   -1738.7355   -1738.7355 
   84000   -7119.4552   -7119.4552   -7199.9449   -7199.9449    311.50377    311.50377    23581.645    23581.645   -1703.8688   -1703.8688 
Loop time of 12.2125 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.884 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.02      | 12.02      | 12.02      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038447   | 0.038447   | 0.038447   |   0.0 |  0.31
Output  | 5.2935e-05 | 5.2935e-05 | 5.2935e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.10
Other   |            | 0.02045    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5141.00 ave        5141 max        5141 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310400.0 ave      310400 max      310400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310400
Ave neighs/atom = 155.20000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.63585654346, Press = 0.126270442379145
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -7119.4552   -7119.4552   -7199.9449   -7199.9449    311.50377    311.50377    23581.645    23581.645   -1703.8688   -1703.8688 
   85000   -7118.8911   -7118.8911   -7200.2809   -7200.2809    314.98674    314.98674    23556.815    23556.815    840.75667    840.75667 
Loop time of 12.2119 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.887 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.019     | 12.019     | 12.019     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03844    | 0.03844    | 0.03844    |   0.0 |  0.31
Output  | 4.1414e-05 | 4.1414e-05 | 4.1414e-05 |   0.0 |  0.00
Modify  | 0.13368    | 0.13368    | 0.13368    |   0.0 |  1.09
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5146.00 ave        5146 max        5146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310830.0 ave      310830 max      310830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310830
Ave neighs/atom = 155.41500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.614277791507, Press = -0.279643551096005
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -7118.8911   -7118.8911   -7200.2809   -7200.2809    314.98674    314.98674    23556.815    23556.815    840.75667    840.75667 
   86000   -7117.3632   -7117.3632   -7200.5947   -7200.5947    322.11416    322.11416    23566.578    23566.578   -232.35253   -232.35253 
Loop time of 12.2068 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.921 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.014     | 12.014     | 12.014     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03856    | 0.03856    | 0.03856    |   0.0 |  0.32
Output  | 7.1486e-05 | 7.1486e-05 | 7.1486e-05 |   0.0 |  0.00
Modify  | 0.13379    | 0.13379    | 0.13379    |   0.0 |  1.10
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5149.00 ave        5149 max        5149 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310812.0 ave      310812 max      310812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310812
Ave neighs/atom = 155.40600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.606500392662, Press = -0.624360373984085
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -7117.3632   -7117.3632   -7200.5947   -7200.5947    322.11416    322.11416    23566.578    23566.578   -232.35253   -232.35253 
   87000    -7122.293    -7122.293   -7203.1523   -7203.1523    312.93364    312.93364    23567.464    23567.464   -480.28131   -480.28131 
Loop time of 12.2057 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.929 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038524   | 0.038524   | 0.038524   |   0.0 |  0.32
Output  | 4.0786e-05 | 4.0786e-05 | 4.0786e-05 |   0.0 |  0.00
Modify  | 0.13367    | 0.13367    | 0.13367    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5145.00 ave        5145 max        5145 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310928.0 ave      310928 max      310928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310928
Ave neighs/atom = 155.46400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.610815350207, Press = 0.418442779884419
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000    -7122.293    -7122.293   -7203.1523   -7203.1523    312.93364    312.93364    23567.464    23567.464   -480.28131   -480.28131 
   88000   -7118.0009   -7118.0009   -7198.5441   -7198.5441    311.71043    311.71043     23561.93     23561.93    439.47246    439.47246 
Loop time of 12.2191 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.839 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.026     | 12.026     | 12.026     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038478   | 0.038478   | 0.038478   |   0.0 |  0.31
Output  | 4.6318e-05 | 4.6318e-05 | 4.6318e-05 |   0.0 |  0.00
Modify  | 0.1337     | 0.1337     | 0.1337     |   0.0 |  1.09
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5146.00 ave        5146 max        5146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311078.0 ave      311078 max      311078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311078
Ave neighs/atom = 155.53900
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 = 312.607648380527, Press = -0.87818353738521
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -7118.0009   -7118.0009   -7198.5441   -7198.5441    311.71043    311.71043     23561.93     23561.93    439.47246    439.47246 
   89000   -7121.4553   -7121.4553    -7201.428    -7201.428    309.50257    309.50257    23558.861    23558.861    277.84851    277.84851 
Loop time of 12.2256 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.067 ns/day, 3.396 hours/ns, 81.795 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.033     | 12.033     | 12.033     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038736   | 0.038736   | 0.038736   |   0.0 |  0.32
Output  | 5.1748e-05 | 5.1748e-05 | 5.1748e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.09
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5151.00 ave        5151 max        5151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310980.0 ave      310980 max      310980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310980
Ave neighs/atom = 155.49000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.577208604517, Press = -0.139356035834487
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -7121.4553   -7121.4553    -7201.428    -7201.428    309.50257    309.50257    23558.861    23558.861    277.84851    277.84851 
   90000   -7118.3695   -7118.3695   -7199.9952   -7199.9952    315.90028    315.90028    23526.073    23526.073    3348.1555    3348.1555 
Loop time of 12.2091 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.906 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    | 12.016     | 12.016     | 12.016     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038477   | 0.038477   | 0.038477   |   0.0 |  0.32
Output  | 5.0099e-05 | 5.0099e-05 | 5.0099e-05 |   0.0 |  0.00
Modify  | 0.13365    | 0.13365    | 0.13365    |   0.0 |  1.09
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5150.00 ave        5150 max        5150 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310936.0 ave      310936 max      310936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310936
Ave neighs/atom = 155.46800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.58856348543, Press = 0.733099696818588
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -7118.3695   -7118.3695   -7199.9952   -7199.9952    315.90028    315.90028    23526.073    23526.073    3348.1555    3348.1555 
   91000   -7122.8805   -7122.8805   -7202.2279   -7202.2279     307.0826     307.0826    23571.405    23571.405   -1915.9327   -1915.9327 
Loop time of 12.2058 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.929 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038585   | 0.038585   | 0.038585   |   0.0 |  0.32
Output  | 6.6282e-05 | 6.6282e-05 | 6.6282e-05 |   0.0 |  0.00
Modify  | 0.13378    | 0.13378    | 0.13378    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311488.0 ave      311488 max      311488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311488
Ave neighs/atom = 155.74400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.574005750801, Press = -0.124588110718227
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -7122.8805   -7122.8805   -7202.2279   -7202.2279     307.0826     307.0826    23571.405    23571.405   -1915.9327   -1915.9327 
   92000   -7117.1949   -7117.1949     -7200.19     -7200.19    321.19962    321.19962    23600.349    23600.349    -3031.586    -3031.586 
Loop time of 12.2063 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.925 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.014     | 12.014     | 12.014     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038584   | 0.038584   | 0.038584   |   0.0 |  0.32
Output  | 4.1569e-05 | 4.1569e-05 | 4.1569e-05 |   0.0 |  0.00
Modify  | 0.1336     | 0.1336     | 0.1336     |   0.0 |  1.09
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5143.00 ave        5143 max        5143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310820.0 ave      310820 max      310820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310820
Ave neighs/atom = 155.41000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.555898263318, Press = 0.173596738374289
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -7117.1949   -7117.1949     -7200.19     -7200.19    321.19962    321.19962    23600.349    23600.349    -3031.586    -3031.586 
   93000   -7120.2612   -7120.2612   -7200.9033   -7200.9033    312.09343    312.09343    23587.351    23587.351   -1267.9913   -1267.9913 
Loop time of 12.2036 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.080 ns/day, 3.390 hours/ns, 81.943 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    | 12.011     | 12.011     | 12.011     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03864    | 0.03864    | 0.03864    |   0.0 |  0.32
Output  | 4.6994e-05 | 4.6994e-05 | 4.6994e-05 |   0.0 |  0.00
Modify  | 0.13366    | 0.13366    | 0.13366    |   0.0 |  1.10
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5147.00 ave        5147 max        5147 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310410.0 ave      310410 max      310410 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310410
Ave neighs/atom = 155.20500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.57496574334, Press = -0.700567395809206
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -7120.2612   -7120.2612   -7200.9033   -7200.9033    312.09343    312.09343    23587.351    23587.351   -1267.9913   -1267.9913 
   94000   -7118.0291   -7118.0291   -7198.3332   -7198.3332    310.78542    310.78542    23591.361    23591.361   -1878.7702   -1878.7702 
Loop time of 12.2024 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.081 ns/day, 3.390 hours/ns, 81.951 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.009     | 12.009     | 12.009     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038682   | 0.038682   | 0.038682   |   0.0 |  0.32
Output  | 4.9437e-05 | 4.9437e-05 | 4.9437e-05 |   0.0 |  0.00
Modify  | 0.13386    | 0.13386    | 0.13386    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5167.00 ave        5167 max        5167 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310914.0 ave      310914 max      310914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310914
Ave neighs/atom = 155.45700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.59514815304, Press = -1.12123122474732
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -7118.0291   -7118.0291   -7198.3332   -7198.3332    310.78542    310.78542    23591.361    23591.361   -1878.7702   -1878.7702 
   95000   -7122.4331   -7122.4331   -7203.6218   -7203.6218    314.20873    314.20873    23540.925    23540.925    1519.6668    1519.6668 
Loop time of 12.1969 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.084 ns/day, 3.388 hours/ns, 81.988 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.004     | 12.004     | 12.004     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038546   | 0.038546   | 0.038546   |   0.0 |  0.32
Output  | 4.5224e-05 | 4.5224e-05 | 4.5224e-05 |   0.0 |  0.00
Modify  | 0.13379    | 0.13379    | 0.13379    |   0.0 |  1.10
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5155.00 ave        5155 max        5155 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310752.0 ave      310752 max      310752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310752
Ave neighs/atom = 155.37600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.601064070637, Press = -0.558708653321927
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -7122.4331   -7122.4331   -7203.6218   -7203.6218    314.20873    314.20873    23540.925    23540.925    1519.6668    1519.6668 
   96000   -7117.4996   -7117.4996   -7199.5342   -7199.5342    317.48231    317.48231     23534.77     23534.77    2693.7794    2693.7794 
Loop time of 12.2084 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.911 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.015     | 12.015     | 12.015     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038587   | 0.038587   | 0.038587   |   0.0 |  0.32
Output  | 6.1896e-05 | 6.1896e-05 | 6.1896e-05 |   0.0 |  0.00
Modify  | 0.13384    | 0.13384    | 0.13384    |   0.0 |  1.10
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5171.00 ave        5171 max        5171 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311188.0 ave      311188 max      311188 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311188
Ave neighs/atom = 155.59400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.575936295773, Press = 0.941064843194966
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -7117.4996   -7117.4996   -7199.5342   -7199.5342    317.48231    317.48231     23534.77     23534.77    2693.7794    2693.7794 
   97000   -7120.4016   -7120.4016   -7200.6421   -7200.6421    310.53908    310.53908    23599.144    23599.144   -3485.9676   -3485.9676 
Loop time of 12.2087 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.909 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.016     | 12.016     | 12.016     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038589   | 0.038589   | 0.038589   |   0.0 |  0.32
Output  | 4.1456e-05 | 4.1456e-05 | 4.1456e-05 |   0.0 |  0.00
Modify  | 0.13355    | 0.13355    | 0.13355    |   0.0 |  1.09
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5139.00 ave        5139 max        5139 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310948.0 ave      310948 max      310948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310948
Ave neighs/atom = 155.47400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.583751792059, Press = -0.362294150857896
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000   -7120.4016   -7120.4016   -7200.6421   -7200.6421    310.53908    310.53908    23599.144    23599.144   -3485.9676   -3485.9676 
   98000   -7115.7349   -7115.7349   -7199.7699   -7199.7699     325.2243     325.2243    23600.699    23600.699   -2366.9666   -2366.9666 
Loop time of 12.1962 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.084 ns/day, 3.388 hours/ns, 81.993 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.003     | 12.003     | 12.003     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038606   | 0.038606   | 0.038606   |   0.0 |  0.32
Output  | 5.2456e-05 | 5.2456e-05 | 5.2456e-05 |   0.0 |  0.00
Modify  | 0.13382    | 0.13382    | 0.13382    |   0.0 |  1.10
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5168.00 ave        5168 max        5168 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310538.0 ave      310538 max      310538 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310538
Ave neighs/atom = 155.26900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.615441915959, Press = -0.986526838250289
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000   -7115.7349   -7115.7349   -7199.7699   -7199.7699     325.2243     325.2243    23600.699    23600.699   -2366.9666   -2366.9666 
   99000   -7120.6456   -7120.6456   -7201.2117   -7201.2117    311.79906    311.79906    23540.852    23540.852    1697.0293    1697.0293 
Loop time of 12.2108 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.895 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    | 12.018     | 12.018     | 12.018     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038717   | 0.038717   | 0.038717   |   0.0 |  0.32
Output  | 5.0874e-05 | 5.0874e-05 | 5.0874e-05 |   0.0 |  0.00
Modify  | 0.13373    | 0.13373    | 0.13373    |   0.0 |  1.10
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5150.00 ave        5150 max        5150 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310686.0 ave      310686 max      310686 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310686
Ave neighs/atom = 155.34300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.634270954195, Press = -1.35374621670956
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000   -7120.6456   -7120.6456   -7201.2117   -7201.2117    311.79906    311.79906    23540.852    23540.852    1697.0293    1697.0293 
  100000   -7117.5036   -7117.5036   -7200.0996   -7200.0996    319.65481    319.65481    23582.194    23582.194   -1566.9114   -1566.9114 
Loop time of 12.2131 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.879 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    | 12.02      | 12.02      | 12.02      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038489   | 0.038489   | 0.038489   |   0.0 |  0.32
Output  | 4.473e-05  | 4.473e-05  | 4.473e-05  |   0.0 |  0.00
Modify  | 0.13373    | 0.13373    | 0.13373    |   0.0 |  1.09
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5153.00 ave        5153 max        5153 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310976.0 ave      310976 max      310976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310976
Ave neighs/atom = 155.48800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.65677937475, Press = -0.0982601232062296
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000   -7117.5036   -7117.5036   -7200.0996   -7200.0996    319.65481    319.65481    23582.194    23582.194   -1566.9114   -1566.9114 
  101000   -7116.3534   -7116.3534   -7198.3989   -7198.3989    317.52462    317.52462    23523.068    23523.068    3182.0236    3182.0236 
Loop time of 12.2018 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.081 ns/day, 3.389 hours/ns, 81.955 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.009     | 12.009     | 12.009     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038838   | 0.038838   | 0.038838   |   0.0 |  0.32
Output  | 6.3146e-05 | 6.3146e-05 | 6.3146e-05 |   0.0 |  0.00
Modify  | 0.13373    | 0.13373    | 0.13373    |   0.0 |  1.10
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5164.00 ave        5164 max        5164 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310548.0 ave      310548 max      310548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310548
Ave neighs/atom = 155.27400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.662665577135, Press = -0.501811531630275
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -7116.3534   -7116.3534   -7198.3989   -7198.3989    317.52462    317.52462    23523.068    23523.068    3182.0236    3182.0236 
  102000   -7121.1052   -7121.1052   -7200.9052   -7200.9052    308.83414    308.83414     23578.38     23578.38   -1393.9394   -1393.9394 
Loop time of 12.2063 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.925 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038579   | 0.038579   | 0.038579   |   0.0 |  0.32
Output  | 4.1696e-05 | 4.1696e-05 | 4.1696e-05 |   0.0 |  0.00
Modify  | 0.13379    | 0.13379    | 0.13379    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311448.0 ave      311448 max      311448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311448
Ave neighs/atom = 155.72400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.692183463328, Press = 0.5674782570009
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -7121.1052   -7121.1052   -7200.9052   -7200.9052    308.83414    308.83414     23578.38     23578.38   -1393.9394   -1393.9394 
  103000    -7116.782    -7116.782   -7198.7842   -7198.7842    317.35704    317.35704    23540.595    23540.595    2540.6322    2540.6322 
Loop time of 12.2098 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.901 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    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038485   | 0.038485   | 0.038485   |   0.0 |  0.32
Output  | 4.9895e-05 | 4.9895e-05 | 4.9895e-05 |   0.0 |  0.00
Modify  | 0.13384    | 0.13384    | 0.13384    |   0.0 |  1.10
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5168.00 ave        5168 max        5168 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310918.0 ave      310918 max      310918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310918
Ave neighs/atom = 155.45900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.720401137262, Press = 0.00691103660302984
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  103000    -7116.782    -7116.782   -7198.7842   -7198.7842    317.35704    317.35704    23540.595    23540.595    2540.6322    2540.6322 
  104000   -7120.4991   -7120.4991   -7199.7803   -7199.7803    306.82629    306.82629    23557.595    23557.595   -286.45138   -286.45138 
Loop time of 12.1993 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.082 ns/day, 3.389 hours/ns, 81.972 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.006     | 12.006     | 12.006     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038635   | 0.038635   | 0.038635   |   0.0 |  0.32
Output  | 5.0868e-05 | 5.0868e-05 | 5.0868e-05 |   0.0 |  0.00
Modify  | 0.13381    | 0.13381    | 0.13381    |   0.0 |  1.10
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5141.00 ave        5141 max        5141 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310968.0 ave      310968 max      310968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310968
Ave neighs/atom = 155.48400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.710747230413, Press = 0.0119105807380648
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  104000   -7120.4991   -7120.4991   -7199.7803   -7199.7803    306.82629    306.82629    23557.595    23557.595   -286.45138   -286.45138 
  105000   -7120.7137   -7120.7137   -7200.6805   -7200.6805    309.47999    309.47999    23573.636    23573.636    61.890973    61.890973 
Loop time of 12.2128 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.881 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.02      | 12.02      | 12.02      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038644   | 0.038644   | 0.038644   |   0.0 |  0.32
Output  | 5.1338e-05 | 5.1338e-05 | 5.1338e-05 |   0.0 |  0.00
Modify  | 0.13381    | 0.13381    | 0.13381    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310890.0 ave      310890 max      310890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310890
Ave neighs/atom = 155.44500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.699331951341, Press = -0.610308144576636
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  105000   -7120.7137   -7120.7137   -7200.6805   -7200.6805    309.47999    309.47999    23573.636    23573.636    61.890973    61.890973 
  106000   -7117.4276   -7117.4276    -7196.908    -7196.908    307.59721    307.59721    23577.445    23577.445    100.03682    100.03682 
Loop time of 12.211 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.893 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.018     | 12.018     | 12.018     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038546   | 0.038546   | 0.038546   |   0.0 |  0.32
Output  | 6.6564e-05 | 6.6564e-05 | 6.6564e-05 |   0.0 |  0.00
Modify  | 0.13377    | 0.13377    | 0.13377    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5147.00 ave        5147 max        5147 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310966.0 ave      310966 max      310966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310966
Ave neighs/atom = 155.48300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.689092258347, Press = -0.814134187064329
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  106000   -7117.4276   -7117.4276    -7196.908    -7196.908    307.59721    307.59721    23577.445    23577.445    100.03682    100.03682 
  107000   -7119.8443   -7119.8443   -7202.4723   -7202.4723    319.77898    319.77898    23504.166    23504.166    4957.2238    4957.2238 
Loop time of 12.2186 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.842 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.026     | 12.026     | 12.026     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038666   | 0.038666   | 0.038666   |   0.0 |  0.32
Output  | 4.1002e-05 | 4.1002e-05 | 4.1002e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.09
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310884.0 ave      310884 max      310884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310884
Ave neighs/atom = 155.44200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.703158663153, Press = -0.0682079034024306
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  107000   -7119.8443   -7119.8443   -7202.4723   -7202.4723    319.77898    319.77898    23504.166    23504.166    4957.2238    4957.2238 
  108000    -7119.541    -7119.541   -7198.0209   -7198.0209    303.72516    303.72516    23585.133    23585.133    -1939.561    -1939.561 
Loop time of 12.2072 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.919 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    | 12.014     | 12.014     | 12.014     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038576   | 0.038576   | 0.038576   |   0.0 |  0.32
Output  | 6.7919e-05 | 6.7919e-05 | 6.7919e-05 |   0.0 |  0.00
Modify  | 0.13373    | 0.13373    | 0.13373    |   0.0 |  1.10
Other   |            | 0.02063    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5171.00 ave        5171 max        5171 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311626.0 ave      311626 max      311626 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311626
Ave neighs/atom = 155.81300
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 = 312.71254735095, Press = 0.249482875312207
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  108000    -7119.541    -7119.541   -7198.0209   -7198.0209    303.72516    303.72516    23585.133    23585.133    -1939.561    -1939.561 
  109000   -7125.7385   -7125.7385   -7203.3306   -7203.3306    300.28912    300.28912    23541.423    23541.423    1782.9725    1782.9725 
Loop time of 12.1969 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.084 ns/day, 3.388 hours/ns, 81.988 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.004     | 12.004     | 12.004     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03865    | 0.03865    | 0.03865    |   0.0 |  0.32
Output  | 4.0998e-05 | 4.0998e-05 | 4.0998e-05 |   0.0 |  0.00
Modify  | 0.1337     | 0.1337     | 0.1337     |   0.0 |  1.10
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5178.00 ave        5178 max        5178 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310582.0 ave      310582 max      310582 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310582
Ave neighs/atom = 155.29100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.698509500376, Press = 0.313046020476657
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  109000   -7125.7385   -7125.7385   -7203.3306   -7203.3306    300.28912    300.28912    23541.423    23541.423    1782.9725    1782.9725 
  110000   -7117.8622   -7117.8622   -7199.2412   -7199.2412    314.94502    314.94502    23571.545    23571.545   -370.93206   -370.93206 
Loop time of 12.2113 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.892 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    | 12.018     | 12.018     | 12.018     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038763   | 0.038763   | 0.038763   |   0.0 |  0.32
Output  | 5.9004e-05 | 5.9004e-05 | 5.9004e-05 |   0.0 |  0.00
Modify  | 0.13368    | 0.13368    | 0.13368    |   0.0 |  1.09
Other   |            | 0.02063    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5159.00 ave        5159 max        5159 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311262.0 ave      311262 max      311262 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311262
Ave neighs/atom = 155.63100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.684878285455, Press = -0.756915814539429
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  110000   -7117.8622   -7117.8622   -7199.2412   -7199.2412    314.94502    314.94502    23571.545    23571.545   -370.93206   -370.93206 
  111000   -7122.0637   -7122.0637    -7201.961    -7201.961    309.21069    309.21069    23554.092    23554.092    535.33283    535.33283 
Loop time of 12.2171 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.394 hours/ns, 81.852 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.024     | 12.024     | 12.024     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038642   | 0.038642   | 0.038642   |   0.0 |  0.32
Output  | 7.1347e-05 | 7.1347e-05 | 7.1347e-05 |   0.0 |  0.00
Modify  | 0.13379    | 0.13379    | 0.13379    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5150.00 ave        5150 max        5150 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310864.0 ave      310864 max      310864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310864
Ave neighs/atom = 155.43200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.679342908114, Press = 0.00922012251538969
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  111000   -7122.0637   -7122.0637    -7201.961    -7201.961    309.21069    309.21069    23554.092    23554.092    535.33283    535.33283 
  112000   -7118.4479   -7118.4479   -7199.3958   -7199.3958    313.27662    313.27662    23546.413    23546.413     1534.156     1534.156 
Loop time of 12.2047 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.936 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.012     | 12.012     | 12.012     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038636   | 0.038636   | 0.038636   |   0.0 |  0.32
Output  | 4.1205e-05 | 4.1205e-05 | 4.1205e-05 |   0.0 |  0.00
Modify  | 0.1337     | 0.1337     | 0.1337     |   0.0 |  1.10
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5160.00 ave        5160 max        5160 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311030.0 ave      311030 max      311030 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311030
Ave neighs/atom = 155.51500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.668580903102, Press = -0.142123621286578
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  112000   -7118.4479   -7118.4479   -7199.3958   -7199.3958    313.27662    313.27662    23546.413    23546.413     1534.156     1534.156 
  113000   -7122.2135   -7122.2135    -7202.461    -7202.461    310.56616    310.56616    23560.344    23560.344   -772.11956   -772.11956 
Loop time of 12.2076 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.916 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.015     | 12.015     | 12.015     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038539   | 0.038539   | 0.038539   |   0.0 |  0.32
Output  | 5.2326e-05 | 5.2326e-05 | 5.2326e-05 |   0.0 |  0.00
Modify  | 0.13379    | 0.13379    | 0.13379    |   0.0 |  1.10
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5157.00 ave        5157 max        5157 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311146.0 ave      311146 max      311146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311146
Ave neighs/atom = 155.57300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.660585243405, Press = -0.261830955986071
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  113000   -7122.2135   -7122.2135    -7202.461    -7202.461    310.56616    310.56616    23560.344    23560.344   -772.11956   -772.11956 
  114000   -7118.7663   -7118.7663   -7199.8899   -7199.8899     313.9567     313.9567    23591.384    23591.384   -1814.5861   -1814.5861 
Loop time of 12.2145 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.870 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.022     | 12.022     | 12.022     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038428   | 0.038428   | 0.038428   |   0.0 |  0.31
Output  | 4.1383e-05 | 4.1383e-05 | 4.1383e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.09
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5137.00 ave        5137 max        5137 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311060.0 ave      311060 max      311060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311060
Ave neighs/atom = 155.53000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.680441196633, Press = -0.588924610857572
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  114000   -7118.7663   -7118.7663   -7199.8899   -7199.8899     313.9567     313.9567    23591.384    23591.384   -1814.5861   -1814.5861 
  115000   -7117.2848   -7117.2848   -7200.3281   -7200.3281    321.38628    321.38628     23515.66     23515.66    3677.9887    3677.9887 
Loop time of 12.1993 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.082 ns/day, 3.389 hours/ns, 81.972 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.007     | 12.007     | 12.007     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038471   | 0.038471   | 0.038471   |   0.0 |  0.32
Output  | 5.6498e-05 | 5.6498e-05 | 5.6498e-05 |   0.0 |  0.00
Modify  | 0.13378    | 0.13378    | 0.13378    |   0.0 |  1.10
Other   |            | 0.02042    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5139.00 ave        5139 max        5139 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310572.0 ave      310572 max      310572 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310572
Ave neighs/atom = 155.28600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.69641561123, Press = 0.27428646674451
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  115000   -7117.2848   -7117.2848   -7200.3281   -7200.3281    321.38628    321.38628     23515.66     23515.66    3677.9887    3677.9887 
  116000   -7120.4874   -7120.4874   -7200.8373   -7200.8373    310.96247    310.96247    23558.392    23558.392     735.2473     735.2473 
Loop time of 12.2076 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.916 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.015     | 12.015     | 12.015     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038761   | 0.038761   | 0.038761   |   0.0 |  0.32
Output  | 4.4544e-05 | 4.4544e-05 | 4.4544e-05 |   0.0 |  0.00
Modify  | 0.13366    | 0.13366    | 0.13366    |   0.0 |  1.09
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5163.00 ave        5163 max        5163 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311326.0 ave      311326 max      311326 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311326
Ave neighs/atom = 155.66300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.712764754739, Press = -0.439743998218875
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  116000   -7120.4874   -7120.4874   -7200.8373   -7200.8373    310.96247    310.96247    23558.392    23558.392     735.2473     735.2473 
  117000   -7116.7897   -7116.7897   -7197.6191   -7197.6191    312.81803    312.81803    23553.355    23553.355    872.18073    872.18073 
Loop time of 12.2134 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.877 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.021     | 12.021     | 12.021     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038571   | 0.038571   | 0.038571   |   0.0 |  0.32
Output  | 4.122e-05  | 4.122e-05  | 4.122e-05  |   0.0 |  0.00
Modify  | 0.13362    | 0.13362    | 0.13362    |   0.0 |  1.09
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5149.00 ave        5149 max        5149 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311262.0 ave      311262 max      311262 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311262
Ave neighs/atom = 155.63100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.722966546794, Press = 0.160718283344698
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  117000   -7116.7897   -7116.7897   -7197.6191   -7197.6191    312.81803    312.81803    23553.355    23553.355    872.18073    872.18073 
  118000   -7116.7833   -7116.7833   -7198.3373   -7198.3373    315.62234    315.62234    23565.619    23565.619    -367.2477    -367.2477 
Loop time of 12.211 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.893 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.018     | 12.018     | 12.018     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038764   | 0.038764   | 0.038764   |   0.0 |  0.32
Output  | 5.1634e-05 | 5.1634e-05 | 5.1634e-05 |   0.0 |  0.00
Modify  | 0.13381    | 0.13381    | 0.13381    |   0.0 |  1.10
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311012.0 ave      311012 max      311012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311012
Ave neighs/atom = 155.50600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.722669272604, Press = -0.200510905703034
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  118000   -7116.7833   -7116.7833   -7198.3373   -7198.3373    315.62234    315.62234    23565.619    23565.619    -367.2477    -367.2477 
  119000   -7120.3265   -7120.3265   -7200.9862   -7200.9862     312.1616     312.1616    23555.494    23555.494    968.09532    968.09532 
Loop time of 12.2142 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.872 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.021     | 12.021     | 12.021     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038792   | 0.038792   | 0.038792   |   0.0 |  0.32
Output  | 4.108e-05  | 4.108e-05  | 4.108e-05  |   0.0 |  0.00
Modify  | 0.13375    | 0.13375    | 0.13375    |   0.0 |  1.10
Other   |            | 0.02061    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5171.00 ave        5171 max        5171 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310578.0 ave      310578 max      310578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310578
Ave neighs/atom = 155.28900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.75509534452, Press = 0.0884453799138361
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  119000   -7120.3265   -7120.3265   -7200.9862   -7200.9862     312.1616     312.1616    23555.494    23555.494    968.09532    968.09532 
  120000   -7115.0082   -7115.0082   -7196.1523   -7196.1523    314.03609    314.03609    23599.867    23599.867   -1699.4629   -1699.4629 
Loop time of 12.2066 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.923 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.014     | 12.014     | 12.014     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038683   | 0.038683   | 0.038683   |   0.0 |  0.32
Output  | 6.1651e-05 | 6.1651e-05 | 6.1651e-05 |   0.0 |  0.00
Modify  | 0.13378    | 0.13378    | 0.13378    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310924.0 ave      310924 max      310924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310924
Ave neighs/atom = 155.46200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.773653105517, Press = -0.368102087963114
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  120000   -7115.0082   -7115.0082   -7196.1523   -7196.1523    314.03609    314.03609    23599.867    23599.867   -1699.4629   -1699.4629 
  121000   -7118.4983   -7118.4983   -7200.0877   -7200.0877    315.75942    315.75942     23556.56     23556.56    7.7555666    7.7555666 
Loop time of 12.1989 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.083 ns/day, 3.389 hours/ns, 81.975 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.006     | 12.006     | 12.006     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038609   | 0.038609   | 0.038609   |   0.0 |  0.32
Output  | 4.4806e-05 | 4.4806e-05 | 4.4806e-05 |   0.0 |  0.00
Modify  | 0.13361    | 0.13361    | 0.13361    |   0.0 |  1.10
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5178.00 ave        5178 max        5178 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310470.0 ave      310470 max      310470 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310470
Ave neighs/atom = 155.23500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.785344702832, Press = -0.0225195165992325
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  121000   -7118.4983   -7118.4983   -7200.0877   -7200.0877    315.75942    315.75942     23556.56     23556.56    7.7555666    7.7555666 
  122000    -7123.163    -7123.163   -7203.3564   -7203.3564    310.35689    310.35689    23556.736    23556.736    492.13048    492.13048 
Loop time of 12.2096 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.903 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038692   | 0.038692   | 0.038692   |   0.0 |  0.32
Output  | 4.5554e-05 | 4.5554e-05 | 4.5554e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.10
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5157.00 ave        5157 max        5157 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310938.0 ave      310938 max      310938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310938
Ave neighs/atom = 155.46900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.777621076786, Press = -1.54145065161834
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  122000    -7123.163    -7123.163   -7203.3564   -7203.3564    310.35689    310.35689    23556.736    23556.736    492.13048    492.13048 
  123000   -7117.3234   -7117.3234   -7199.6127   -7199.6127    318.46803    318.46803    23552.585    23552.585    1071.6452    1071.6452 
Loop time of 12.199 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.083 ns/day, 3.389 hours/ns, 81.974 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.006     | 12.006     | 12.006     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038619   | 0.038619   | 0.038619   |   0.0 |  0.32
Output  | 5.5821e-05 | 5.5821e-05 | 5.5821e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.10
Other   |            | 0.02058    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5174.00 ave        5174 max        5174 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310804.0 ave      310804 max      310804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310804
Ave neighs/atom = 155.40200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.774368124628, Press = -0.073867897522449
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  123000   -7117.3234   -7117.3234   -7199.6127   -7199.6127    318.46803    318.46803    23552.585    23552.585    1071.6452    1071.6452 
  124000   -7121.8448   -7121.8448   -7201.1751   -7201.1751    307.01647    307.01647    23560.496    23560.496   -27.098206   -27.098206 
Loop time of 12.2051 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.933 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.012     | 12.012     | 12.012     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038569   | 0.038569   | 0.038569   |   0.0 |  0.32
Output  | 4.1556e-05 | 4.1556e-05 | 4.1556e-05 |   0.0 |  0.00
Modify  | 0.1337     | 0.1337     | 0.1337     |   0.0 |  1.10
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5175.00 ave        5175 max        5175 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310994.0 ave      310994 max      310994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310994
Ave neighs/atom = 155.49700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.780500825349, Press = 0.102715531992945
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  124000   -7121.8448   -7121.8448   -7201.1751   -7201.1751    307.01647    307.01647    23560.496    23560.496   -27.098206   -27.098206 
  125000   -7115.3375   -7115.3375   -7199.8749   -7199.8749    327.16857    327.16857    23553.962    23553.962    908.82024    908.82024 
Loop time of 12.2136 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.876 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.02      | 12.02      | 12.02      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038715   | 0.038715   | 0.038715   |   0.0 |  0.32
Output  | 5.6192e-05 | 5.6192e-05 | 5.6192e-05 |   0.0 |  0.00
Modify  | 0.13377    | 0.13377    | 0.13377    |   0.0 |  1.10
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5164.00 ave        5164 max        5164 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310906.0 ave      310906 max      310906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310906
Ave neighs/atom = 155.45300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.794936575706, Press = 0.410824855023457
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  125000   -7115.3375   -7115.3375   -7199.8749   -7199.8749    327.16857    327.16857    23553.962    23553.962    908.82024    908.82024 
  126000   -7120.4627   -7120.4627   -7201.1559   -7201.1559    312.29107    312.29107    23597.253    23597.253   -2399.6867   -2399.6867 
Loop time of 12.2144 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.871 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    | 12.021     | 12.021     | 12.021     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038689   | 0.038689   | 0.038689   |   0.0 |  0.32
Output  | 4.492e-05  | 4.492e-05  | 4.492e-05  |   0.0 |  0.00
Modify  | 0.13365    | 0.13365    | 0.13365    |   0.0 |  1.09
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5179.00 ave        5179 max        5179 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310912.0 ave      310912 max      310912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310912
Ave neighs/atom = 155.45600
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 = 312.8123179269, Press = -0.652690443104538
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  126000   -7120.4627   -7120.4627   -7201.1559   -7201.1559    312.29107    312.29107    23597.253    23597.253   -2399.6867   -2399.6867 
  127000   -7121.4846   -7121.4846   -7201.1098   -7201.1098    308.15757    308.15757    23539.801    23539.801    1268.5928    1268.5928 
Loop time of 12.2041 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.080 ns/day, 3.390 hours/ns, 81.940 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    | 12.011     | 12.011     | 12.011     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038483   | 0.038483   | 0.038483   |   0.0 |  0.32
Output  | 4.6074e-05 | 4.6074e-05 | 4.6074e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.10
Other   |            | 0.02046    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5152.00 ave        5152 max        5152 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310548.0 ave      310548 max      310548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310548
Ave neighs/atom = 155.27400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.831015694214, Press = -0.282704440339819
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  127000   -7121.4846   -7121.4846   -7201.1098   -7201.1098    308.15757    308.15757    23539.801    23539.801    1268.5928    1268.5928 
  128000   -7117.5286   -7117.5286   -7200.9647   -7200.9647    322.90628    322.90628    23528.307    23528.307    2957.7063    2957.7063 
Loop time of 12.2189 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.840 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.026     | 12.026     | 12.026     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03846    | 0.03846    | 0.03846    |   0.0 |  0.31
Output  | 5.4195e-05 | 5.4195e-05 | 5.4195e-05 |   0.0 |  0.00
Modify  | 0.13383    | 0.13383    | 0.13383    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311384.0 ave      311384 max      311384 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311384
Ave neighs/atom = 155.69200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.841177149848, Press = -0.199275562946681
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  128000   -7117.5286   -7117.5286   -7200.9647   -7200.9647    322.90628    322.90628    23528.307    23528.307    2957.7063    2957.7063 
  129000   -7119.7592   -7119.7592   -7203.6172   -7203.6172    324.53934    324.53934    23577.902    23577.902   -1250.5012   -1250.5012 
Loop time of 12.2171 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.394 hours/ns, 81.852 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.024     | 12.024     | 12.024     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038618   | 0.038618   | 0.038618   |   0.0 |  0.32
Output  | 4.0858e-05 | 4.0858e-05 | 4.0858e-05 |   0.0 |  0.00
Modify  | 0.13371    | 0.13371    | 0.13371    |   0.0 |  1.09
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311440.0 ave      311440 max      311440 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311440
Ave neighs/atom = 155.72000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.854058162428, Press = 0.181202455719008
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  129000   -7119.7592   -7119.7592   -7203.6172   -7203.6172    324.53934    324.53934    23577.902    23577.902   -1250.5012   -1250.5012 
  130000   -7120.2583   -7120.2583   -7201.6728   -7201.6728    315.08253    315.08253    23562.299    23562.299    464.88691    464.88691 
Loop time of 12.2191 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.839 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.026     | 12.026     | 12.026     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038509   | 0.038509   | 0.038509   |   0.0 |  0.32
Output  | 8.9654e-05 | 8.9654e-05 | 8.9654e-05 |   0.0 |  0.00
Modify  | 0.13381    | 0.13381    | 0.13381    |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5156.00 ave        5156 max        5156 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310854.0 ave      310854 max      310854 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310854
Ave neighs/atom = 155.42700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.879563772529, Press = 0.250259556457465
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  130000   -7120.2583   -7120.2583   -7201.6728   -7201.6728    315.08253    315.08253    23562.299    23562.299    464.88691    464.88691 
  131000   -7118.0598   -7118.0598   -7197.7794   -7197.7794    308.52315    308.52315    23612.881    23612.881   -3624.7071   -3624.7071 
Loop time of 12.2156 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.863 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.022     | 12.022     | 12.022     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03893    | 0.03893    | 0.03893    |   0.0 |  0.32
Output  | 4.7088e-05 | 4.7088e-05 | 4.7088e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.09
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5170.00 ave        5170 max        5170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310896.0 ave      310896 max      310896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310896
Ave neighs/atom = 155.44800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.880945282817, Press = -0.12645695642171
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  131000   -7118.0598   -7118.0598   -7197.7794   -7197.7794    308.52315    308.52315    23612.881    23612.881   -3624.7071   -3624.7071 
  132000   -7119.4525   -7119.4525   -7199.8654   -7199.8654    311.20621    311.20621    23563.061    23563.061   -477.83657   -477.83657 
Loop time of 12.2085 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.910 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.016     | 12.016     | 12.016     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038649   | 0.038649   | 0.038649   |   0.0 |  0.32
Output  | 4.9015e-05 | 4.9015e-05 | 4.9015e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310476.0 ave      310476 max      310476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310476
Ave neighs/atom = 155.23800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.86392175872, Press = -0.415418648906845
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  132000   -7119.4525   -7119.4525   -7199.8654   -7199.8654    311.20621    311.20621    23563.061    23563.061   -477.83657   -477.83657 
  133000   -7123.0582   -7123.0582   -7203.5851   -7203.5851     311.6474     311.6474    23544.224    23544.224    957.01118    957.01118 
Loop time of 12.211 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.893 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.018     | 12.018     | 12.018     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038533   | 0.038533   | 0.038533   |   0.0 |  0.32
Output  | 5.4708e-05 | 5.4708e-05 | 5.4708e-05 |   0.0 |  0.00
Modify  | 0.13365    | 0.13365    | 0.13365    |   0.0 |  1.09
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5177.00 ave        5177 max        5177 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310918.0 ave      310918 max      310918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310918
Ave neighs/atom = 155.45900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.859239850006, Press = 0.089968162798506
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  133000   -7123.0582   -7123.0582   -7203.5851   -7203.5851     311.6474     311.6474    23544.224    23544.224    957.01118    957.01118 
  134000   -7118.6566   -7118.6566   -7199.8621   -7199.8621    314.27393    314.27393    23556.847    23556.847     339.4921     339.4921 
Loop time of 12.2181 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.846 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.025     | 12.025     | 12.025     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038521   | 0.038521   | 0.038521   |   0.0 |  0.32
Output  | 5.2586e-05 | 5.2586e-05 | 5.2586e-05 |   0.0 |  0.00
Modify  | 0.13366    | 0.13366    | 0.13366    |   0.0 |  1.09
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5138.00 ave        5138 max        5138 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311196.0 ave      311196 max      311196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311196
Ave neighs/atom = 155.59800
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 = 312.848461637909, Press = -0.441401836352672
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  134000   -7118.6566   -7118.6566   -7199.8621   -7199.8621    314.27393    314.27393    23556.847    23556.847     339.4921     339.4921 
  135000   -7121.4559   -7121.4559   -7201.3898   -7201.3898    309.35271    309.35271      23543.1      23543.1    947.94274    947.94274 
Loop time of 12.2129 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.392 hours/ns, 81.880 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.02      | 12.02      | 12.02      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038522   | 0.038522   | 0.038522   |   0.0 |  0.32
Output  | 6.5102e-05 | 6.5102e-05 | 6.5102e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5138.00 ave        5138 max        5138 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310906.0 ave      310906 max      310906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310906
Ave neighs/atom = 155.45300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.836486228916, Press = 0.53846660742129
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  135000   -7121.4559   -7121.4559   -7201.3898   -7201.3898    309.35271    309.35271      23543.1      23543.1    947.94274    947.94274 
  136000   -7118.3449   -7118.3449   -7200.4052   -7200.4052    317.58201    317.58201    23550.986    23550.986    883.43684    883.43684 
Loop time of 12.2111 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.893 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.018     | 12.018     | 12.018     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038669   | 0.038669   | 0.038669   |   0.0 |  0.32
Output  | 4.1309e-05 | 4.1309e-05 | 4.1309e-05 |   0.0 |  0.00
Modify  | 0.13375    | 0.13375    | 0.13375    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5146.00 ave        5146 max        5146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310896.0 ave      310896 max      310896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310896
Ave neighs/atom = 155.44800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.838752622993, Press = 0.176854083181903
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  136000   -7118.3449   -7118.3449   -7200.4052   -7200.4052    317.58201    317.58201    23550.986    23550.986    883.43684    883.43684 
  137000   -7119.7536   -7119.7536   -7199.7829   -7199.7829    309.72169    309.72169    23628.693    23628.693   -5495.2896   -5495.2896 
Loop time of 12.2092 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.906 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    | 12.016     | 12.016     | 12.016     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038595   | 0.038595   | 0.038595   |   0.0 |  0.32
Output  | 4.6708e-05 | 4.6708e-05 | 4.6708e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.10
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5152.00 ave        5152 max        5152 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311104.0 ave      311104 max      311104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311104
Ave neighs/atom = 155.55200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.865244419487, Press = -0.267140844252044
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  137000   -7119.7536   -7119.7536   -7199.7829   -7199.7829    309.72169    309.72169    23628.693    23628.693   -5495.2896   -5495.2896 
  138000   -7118.9745   -7118.9745   -7199.6505   -7199.6505    312.22427    312.22427    23555.064    23555.064    725.90444    725.90444 
Loop time of 12.2028 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.080 ns/day, 3.390 hours/ns, 81.949 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.01      | 12.01      | 12.01      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038602   | 0.038602   | 0.038602   |   0.0 |  0.32
Output  | 5.6166e-05 | 5.6166e-05 | 5.6166e-05 |   0.0 |  0.00
Modify  | 0.1338     | 0.1338     | 0.1338     |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5162.00 ave        5162 max        5162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310198.0 ave      310198 max      310198 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310198
Ave neighs/atom = 155.09900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.868772574198, Press = 0.0275925662652461
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  138000   -7118.9745   -7118.9745   -7199.6505   -7199.6505    312.22427    312.22427    23555.064    23555.064    725.90444    725.90444 
  139000    -7121.539    -7121.539   -7203.8058   -7203.8058    318.38097    318.38097    23553.431    23553.431    604.98805    604.98805 
Loop time of 12.2097 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.902 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    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038501   | 0.038501   | 0.038501   |   0.0 |  0.32
Output  | 4.3571e-05 | 4.3571e-05 | 4.3571e-05 |   0.0 |  0.00
Modify  | 0.1338     | 0.1338     | 0.1338     |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5145.00 ave        5145 max        5145 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311006.0 ave      311006 max      311006 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311006
Ave neighs/atom = 155.50300
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 = 312.861307220263, Press = -0.724804803283092
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  139000    -7121.539    -7121.539   -7203.8058   -7203.8058    318.38097    318.38097    23553.431    23553.431    604.98805    604.98805 
  140000   -7118.1866   -7118.1866   -7198.9941   -7198.9941    312.73341    312.73341    23554.184    23554.184    849.85348    849.85348 
Loop time of 12.2177 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.394 hours/ns, 81.849 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.025     | 12.025     | 12.025     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038593   | 0.038593   | 0.038593   |   0.0 |  0.32
Output  | 7.2255e-05 | 7.2255e-05 | 7.2255e-05 |   0.0 |  0.00
Modify  | 0.13368    | 0.13368    | 0.13368    |   0.0 |  1.09
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310900.0 ave      310900 max      310900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310900
Ave neighs/atom = 155.45000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.843084521078, Press = 0.123457593287819
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  140000   -7118.1866   -7118.1866   -7198.9941   -7198.9941    312.73341    312.73341    23554.184    23554.184    849.85348    849.85348 
  141000   -7121.7942   -7121.7942    -7201.749    -7201.749    309.43338    309.43338    23553.622    23553.622    288.35542    288.35542 
Loop time of 12.2315 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.064 ns/day, 3.398 hours/ns, 81.756 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.038     | 12.038     | 12.038     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038642   | 0.038642   | 0.038642   |   0.0 |  0.32
Output  | 5.1246e-05 | 5.1246e-05 | 5.1246e-05 |   0.0 |  0.00
Modify  | 0.13378    | 0.13378    | 0.13378    |   0.0 |  1.09
Other   |            | 0.0206     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5151.00 ave        5151 max        5151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311084.0 ave      311084 max      311084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311084
Ave neighs/atom = 155.54200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.845174574887, Press = -0.303357714142145
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  141000   -7121.7942   -7121.7942    -7201.749    -7201.749    309.43338    309.43338    23553.622    23553.622    288.35542    288.35542 
  142000   -7118.2385   -7118.2385   -7200.2115   -7200.2115    317.24429    317.24429    23567.675    23567.675    363.88892    363.88892 
Loop time of 12.2102 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.899 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038584   | 0.038584   | 0.038584   |   0.0 |  0.32
Output  | 4.7134e-05 | 4.7134e-05 | 4.7134e-05 |   0.0 |  0.00
Modify  | 0.13369    | 0.13369    | 0.13369    |   0.0 |  1.09
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5173.00 ave        5173 max        5173 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311088.0 ave      311088 max      311088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311088
Ave neighs/atom = 155.54400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.83195731099, Press = 0.419801806371848
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  142000   -7118.2385   -7118.2385   -7200.2115   -7200.2115    317.24429    317.24429    23567.675    23567.675    363.88892    363.88892 
  143000   -7120.2765   -7120.2765   -7201.7081   -7201.7081    315.14852    315.14852    23580.577    23580.577   -1574.1281   -1574.1281 
Loop time of 12.2023 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.081 ns/day, 3.390 hours/ns, 81.952 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    | 12.009     | 12.009     | 12.009     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038606   | 0.038606   | 0.038606   |   0.0 |  0.32
Output  | 4.9318e-05 | 4.9318e-05 | 4.9318e-05 |   0.0 |  0.00
Modify  | 0.13369    | 0.13369    | 0.13369    |   0.0 |  1.10
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310800.0 ave      310800 max      310800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310800
Ave neighs/atom = 155.40000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.822721808104, Press = -0.207151818771641
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  143000   -7120.2765   -7120.2765   -7201.7081   -7201.7081    315.14852    315.14852    23580.577    23580.577   -1574.1281   -1574.1281 
  144000   -7119.7961   -7119.7961   -7200.2403   -7200.2403    311.32761    311.32761    23550.424    23550.424    792.12693    792.12693 
Loop time of 12.221 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.070 ns/day, 3.395 hours/ns, 81.827 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.028     | 12.028     | 12.028     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038574   | 0.038574   | 0.038574   |   0.0 |  0.32
Output  | 4.6037e-05 | 4.6037e-05 | 4.6037e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.09
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5165.00 ave        5165 max        5165 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310540.0 ave      310540 max      310540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310540
Ave neighs/atom = 155.27000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.832204738782, Press = -0.455645151878856
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  144000   -7119.7961   -7119.7961   -7200.2403   -7200.2403    311.32761    311.32761    23550.424    23550.424    792.12693    792.12693 
  145000    -7121.511    -7121.511   -7200.3983   -7200.3983    305.30213    305.30213    23522.883    23522.883    2903.8488    2903.8488 
Loop time of 12.2109 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.894 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.018     | 12.018     | 12.018     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038606   | 0.038606   | 0.038606   |   0.0 |  0.32
Output  | 6.3265e-05 | 6.3265e-05 | 6.3265e-05 |   0.0 |  0.00
Modify  | 0.1338     | 0.1338     | 0.1338     |   0.0 |  1.10
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311104.0 ave      311104 max      311104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311104
Ave neighs/atom = 155.55200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.81934233681, Press = -0.344102023600716
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  145000    -7121.511    -7121.511   -7200.3983   -7200.3983    305.30213    305.30213    23522.883    23522.883    2903.8488    2903.8488 
  146000    -7119.527    -7119.527   -7202.6103   -7202.6103    321.54062    321.54062    23560.601    23560.601    517.04985    517.04985 
Loop time of 12.2084 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.911 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.015     | 12.015     | 12.015     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038864   | 0.038864   | 0.038864   |   0.0 |  0.32
Output  | 4.7657e-05 | 4.7657e-05 | 4.7657e-05 |   0.0 |  0.00
Modify  | 0.13369    | 0.13369    | 0.13369    |   0.0 |  1.10
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311300.0 ave      311300 max      311300 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311300
Ave neighs/atom = 155.65000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.8205907661, Press = 0.230452732485277
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  146000    -7119.527    -7119.527   -7202.6103   -7202.6103    321.54062    321.54062    23560.601    23560.601    517.04985    517.04985 
  147000   -7120.1057   -7120.1057   -7200.5562   -7200.5562    311.35185    311.35185    23575.267    23575.267   -155.31681   -155.31681 
Loop time of 12.195 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.085 ns/day, 3.388 hours/ns, 82.001 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.002     | 12.002     | 12.002     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03857    | 0.03857    | 0.03857    |   0.0 |  0.32
Output  | 4.7392e-05 | 4.7392e-05 | 4.7392e-05 |   0.0 |  0.00
Modify  | 0.13364    | 0.13364    | 0.13364    |   0.0 |  1.10
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5157.00 ave        5157 max        5157 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311170.0 ave      311170 max      311170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311170
Ave neighs/atom = 155.58500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.822378570365, Press = 0.511231881384906
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  147000   -7120.1057   -7120.1057   -7200.5562   -7200.5562    311.35185    311.35185    23575.267    23575.267   -155.31681   -155.31681 
  148000   -7116.4736   -7116.4736    -7197.656    -7197.656    314.18436    314.18436    23569.375    23569.375   -153.69252   -153.69252 
Loop time of 12.206 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.927 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038581   | 0.038581   | 0.038581   |   0.0 |  0.32
Output  | 5.0366e-05 | 5.0366e-05 | 5.0366e-05 |   0.0 |  0.00
Modify  | 0.13368    | 0.13368    | 0.13368    |   0.0 |  1.10
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5147.00 ave        5147 max        5147 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310870.0 ave      310870 max      310870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310870
Ave neighs/atom = 155.43500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.83170938747, Press = -0.225497158834808
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  148000   -7116.4736   -7116.4736    -7197.656    -7197.656    314.18436    314.18436    23569.375    23569.375   -153.69252   -153.69252 
  149000     -7120.78     -7120.78    -7200.722    -7200.722    309.38372    309.38372    23587.889    23587.889   -2401.8681   -2401.8681 
Loop time of 12.2059 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.391 hours/ns, 81.927 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038578   | 0.038578   | 0.038578   |   0.0 |  0.32
Output  | 5.224e-05  | 5.224e-05  | 5.224e-05  |   0.0 |  0.00
Modify  | 0.13388    | 0.13388    | 0.13388    |   0.0 |  1.10
Other   |            | 0.02043    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5146.00 ave        5146 max        5146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310790.0 ave      310790 max      310790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310790
Ave neighs/atom = 155.39500
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 = 312.839146946595, Press = -0.166080941671621
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  149000     -7120.78     -7120.78    -7200.722    -7200.722    309.38372    309.38372    23587.889    23587.889   -2401.8681   -2401.8681 
  150000   -7119.3542   -7119.3542   -7201.6814   -7201.6814    318.61464    318.61464    23537.871    23537.871    2184.7255    2184.7255 
Loop time of 12.2096 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.903 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038559   | 0.038559   | 0.038559   |   0.0 |  0.32
Output  | 7.1885e-05 | 7.1885e-05 | 7.1885e-05 |   0.0 |  0.00
Modify  | 0.13368    | 0.13368    | 0.13368    |   0.0 |  1.09
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5142.00 ave        5142 max        5142 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310528.0 ave      310528 max      310528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310528
Ave neighs/atom = 155.26400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.855669997199, Press = -0.290047249335974
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  150000   -7119.3542   -7119.3542   -7201.6814   -7201.6814    318.61464    318.61464    23537.871    23537.871    2184.7255    2184.7255 
  151000   -7121.1208   -7121.1208   -7200.6091   -7200.6091    307.62787    307.62787    23571.854    23571.854   -1218.5973   -1218.5973 
Loop time of 12.2045 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.937 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.012     | 12.012     | 12.012     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038748   | 0.038748   | 0.038748   |   0.0 |  0.32
Output  | 4.1561e-05 | 4.1561e-05 | 4.1561e-05 |   0.0 |  0.00
Modify  | 0.13368    | 0.13368    | 0.13368    |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5162.00 ave        5162 max        5162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311334.0 ave      311334 max      311334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311334
Ave neighs/atom = 155.66700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.868205475805, Press = 0.0756881695638823
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  151000   -7121.1208   -7121.1208   -7200.6091   -7200.6091    307.62787    307.62787    23571.854    23571.854   -1218.5973   -1218.5973 
  152000   -7118.9122   -7118.9122   -7201.1564   -7201.1564    318.29339    318.29339    23598.092    23598.092   -2448.2613   -2448.2613 
Loop time of 12.2067 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.923 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.014     | 12.014     | 12.014     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038496   | 0.038496   | 0.038496   |   0.0 |  0.32
Output  | 4.665e-05  | 4.665e-05  | 4.665e-05  |   0.0 |  0.00
Modify  | 0.13352    | 0.13352    | 0.13352    |   0.0 |  1.09
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5135.00 ave        5135 max        5135 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310824.0 ave      310824 max      310824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310824
Ave neighs/atom = 155.41200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88421067999, Press = 0.395885213781002
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  152000   -7118.9122   -7118.9122   -7201.1564   -7201.1564    318.29339    318.29339    23598.092    23598.092   -2448.2613   -2448.2613 
  153000    -7119.069    -7119.069   -7201.0782   -7201.0782    317.38397    317.38397    23580.427    23580.427   -1143.1551   -1143.1551 
Loop time of 12.2085 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.910 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.016     | 12.016     | 12.016     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038496   | 0.038496   | 0.038496   |   0.0 |  0.32
Output  | 4.9632e-05 | 4.9632e-05 | 4.9632e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.10
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5145.00 ave        5145 max        5145 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310534.0 ave      310534 max      310534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310534
Ave neighs/atom = 155.26700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88606626763, Press = -0.113791526328069
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  153000    -7119.069    -7119.069   -7201.0782   -7201.0782    317.38397    317.38397    23580.427    23580.427   -1143.1551   -1143.1551 
  154000   -7119.5626   -7119.5626   -7199.8383   -7199.8383    310.67521    310.67521    23577.208    23577.208   -1231.7814   -1231.7814 
Loop time of 12.2281 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.066 ns/day, 3.397 hours/ns, 81.779 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.035     | 12.035     | 12.035     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038717   | 0.038717   | 0.038717   |   0.0 |  0.32
Output  | 4.4379e-05 | 4.4379e-05 | 4.4379e-05 |   0.0 |  0.00
Modify  | 0.13376    | 0.13376    | 0.13376    |   0.0 |  1.09
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5154.00 ave        5154 max        5154 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310888.0 ave      310888 max      310888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310888
Ave neighs/atom = 155.44400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88763176403, Press = -0.637813490942641
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  154000   -7119.5626   -7119.5626   -7199.8383   -7199.8383    310.67521    310.67521    23577.208    23577.208   -1231.7814   -1231.7814 
  155000   -7117.6077   -7117.6077   -7200.8508   -7200.8508    322.15923    322.15923    23558.412    23558.412    892.95019    892.95019 
Loop time of 12.2237 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.068 ns/day, 3.395 hours/ns, 81.808 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.031     | 12.031     | 12.031     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038619   | 0.038619   | 0.038619   |   0.0 |  0.32
Output  | 6.2831e-05 | 6.2831e-05 | 6.2831e-05 |   0.0 |  0.00
Modify  | 0.13369    | 0.13369    | 0.13369    |   0.0 |  1.09
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5148.00 ave        5148 max        5148 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310506.0 ave      310506 max      310506 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310506
Ave neighs/atom = 155.25300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889099555707, Press = 0.0225124731973696
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  155000   -7117.6077   -7117.6077   -7200.8508   -7200.8508    322.15923    322.15923    23558.412    23558.412    892.95019    892.95019 
  156000    -7121.861    -7121.861   -7201.3997   -7201.3997    307.82313    307.82313     23512.66     23512.66    3797.3797    3797.3797 
Loop time of 12.2205 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.070 ns/day, 3.395 hours/ns, 81.830 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.028     | 12.028     | 12.028     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038488   | 0.038488   | 0.038488   |   0.0 |  0.31
Output  | 4.1403e-05 | 4.1403e-05 | 4.1403e-05 |   0.0 |  0.00
Modify  | 0.13379    | 0.13379    | 0.13379    |   0.0 |  1.09
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5152.00 ave        5152 max        5152 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311042.0 ave      311042 max      311042 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311042
Ave neighs/atom = 155.52100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88959472916, Press = 0.335915451884251
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  156000    -7121.861    -7121.861   -7201.3997   -7201.3997    307.82313    307.82313     23512.66     23512.66    3797.3797    3797.3797 
  157000   -7119.2444   -7119.2444   -7201.8176   -7201.8176    319.56687    319.56687    23594.474    23594.474   -2077.1894   -2077.1894 
Loop time of 12.2251 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.067 ns/day, 3.396 hours/ns, 81.799 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.032     | 12.032     | 12.032     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038574   | 0.038574   | 0.038574   |   0.0 |  0.32
Output  | 5.4616e-05 | 5.4616e-05 | 5.4616e-05 |   0.0 |  0.00
Modify  | 0.13387    | 0.13387    | 0.13387    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5168.00 ave        5168 max        5168 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311726.0 ave      311726 max      311726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311726
Ave neighs/atom = 155.86300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889046287209, Press = 0.49640994166303
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  157000   -7119.2444   -7119.2444   -7201.8176   -7201.8176    319.56687    319.56687    23594.474    23594.474   -2077.1894   -2077.1894 
  158000   -7119.5908   -7119.5908   -7200.3592   -7200.3592    312.58233    312.58233    23588.002    23588.002   -2435.3113   -2435.3113 
Loop time of 12.2227 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.069 ns/day, 3.395 hours/ns, 81.815 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.03      | 12.03      | 12.03      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03845    | 0.03845    | 0.03845    |   0.0 |  0.31
Output  | 4.1616e-05 | 4.1616e-05 | 4.1616e-05 |   0.0 |  0.00
Modify  | 0.13375    | 0.13375    | 0.13375    |   0.0 |  1.09
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310772.0 ave      310772 max      310772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310772
Ave neighs/atom = 155.38600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.871799910155, Press = 0.254477719591309
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  158000   -7119.5908   -7119.5908   -7200.3592   -7200.3592    312.58233    312.58233    23588.002    23588.002   -2435.3113   -2435.3113 
  159000   -7121.6004   -7121.6004   -7202.8974   -7202.8974    314.62759    314.62759    23582.578    23582.578   -1005.4275   -1005.4275 
Loop time of 12.2072 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.919 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    | 12.014     | 12.014     | 12.014     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038717   | 0.038717   | 0.038717   |   0.0 |  0.32
Output  | 4.6967e-05 | 4.6967e-05 | 4.6967e-05 |   0.0 |  0.00
Modify  | 0.13357    | 0.13357    | 0.13357    |   0.0 |  1.09
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5156.00 ave        5156 max        5156 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310488.0 ave      310488 max      310488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310488
Ave neighs/atom = 155.24400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862557274454, Press = -0.300310931381931
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  159000   -7121.6004   -7121.6004   -7202.8974   -7202.8974    314.62759    314.62759    23582.578    23582.578   -1005.4275   -1005.4275 
  160000   -7118.8256   -7118.8256   -7198.5399   -7198.5399    308.50263    308.50263    23562.842    23562.842   -419.28418   -419.28418 
Loop time of 12.2119 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.887 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.019     | 12.019     | 12.019     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038652   | 0.038652   | 0.038652   |   0.0 |  0.32
Output  | 8.037e-05  | 8.037e-05  | 8.037e-05  |   0.0 |  0.00
Modify  | 0.13365    | 0.13365    | 0.13365    |   0.0 |  1.09
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5155.00 ave        5155 max        5155 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310668.0 ave      310668 max      310668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310668
Ave neighs/atom = 155.33400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.860412132442, Press = -0.438084570147176
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  160000   -7118.8256   -7118.8256   -7198.5399   -7198.5399    308.50263    308.50263    23562.842    23562.842   -419.28418   -419.28418 
  161000   -7119.7902   -7119.7902   -7201.7881   -7201.7881     317.3404     317.3404    23569.572    23569.572   -368.37728   -368.37728 
Loop time of 12.2049 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.935 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    | 12.012     | 12.012     | 12.012     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038517   | 0.038517   | 0.038517   |   0.0 |  0.32
Output  | 4.895e-05  | 4.895e-05  | 4.895e-05  |   0.0 |  0.00
Modify  | 0.13378    | 0.13378    | 0.13378    |   0.0 |  1.10
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5165.00 ave        5165 max        5165 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310610.0 ave      310610 max      310610 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310610
Ave neighs/atom = 155.30500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.844277925526, Press = 0.0815476167487937
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  161000   -7119.7902   -7119.7902   -7201.7881   -7201.7881     317.3404     317.3404    23569.572    23569.572   -368.37728   -368.37728 
  162000   -7122.3551   -7122.3551   -7201.7707   -7201.7707    307.34659    307.34659    23561.429    23561.429   -495.25509   -495.25509 
Loop time of 12.2186 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.843 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.026     | 12.026     | 12.026     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038497   | 0.038497   | 0.038497   |   0.0 |  0.32
Output  | 5.5898e-05 | 5.5898e-05 | 5.5898e-05 |   0.0 |  0.00
Modify  | 0.13381    | 0.13381    | 0.13381    |   0.0 |  1.10
Other   |            | 0.02045    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311044.0 ave      311044 max      311044 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311044
Ave neighs/atom = 155.52200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.847661553802, Press = 0.186249760509022
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  162000   -7122.3551   -7122.3551   -7201.7707   -7201.7707    307.34659    307.34659    23561.429    23561.429   -495.25509   -495.25509 
  163000   -7118.4678   -7118.4678   -7199.6176   -7199.6176     314.0582     314.0582    23613.487    23613.487    -3374.909    -3374.909 
Loop time of 12.2102 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.899 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038513   | 0.038513   | 0.038513   |   0.0 |  0.32
Output  | 4.2904e-05 | 4.2904e-05 | 4.2904e-05 |   0.0 |  0.00
Modify  | 0.13376    | 0.13376    | 0.13376    |   0.0 |  1.10
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5148.00 ave        5148 max        5148 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310760.0 ave      310760 max      310760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310760
Ave neighs/atom = 155.38000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.851980168957, Press = -0.612572567782319
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  163000   -7118.4678   -7118.4678   -7199.6176   -7199.6176     314.0582     314.0582    23613.487    23613.487    -3374.909    -3374.909 
  164000   -7120.9355   -7120.9355   -7202.1768   -7202.1768    314.41216    314.41216    23543.095    23543.095    1728.3017    1728.3017 
Loop time of 12.2056 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.929 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038475   | 0.038475   | 0.038475   |   0.0 |  0.32
Output  | 5.7038e-05 | 5.7038e-05 | 5.7038e-05 |   0.0 |  0.00
Modify  | 0.13375    | 0.13375    | 0.13375    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5153.00 ave        5153 max        5153 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      309958.0 ave      309958 max      309958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 309958
Ave neighs/atom = 154.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.83843152674, Press = 0.0728031582841054
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  164000   -7120.9355   -7120.9355   -7202.1768   -7202.1768    314.41216    314.41216    23543.095    23543.095    1728.3017    1728.3017 
  165000   -7122.4537   -7122.4537   -7202.2742   -7202.2742    308.91364    308.91364    23567.635    23567.635   -1102.6244   -1102.6244 
Loop time of 12.2086 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.910 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.016     | 12.016     | 12.016     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038541   | 0.038541   | 0.038541   |   0.0 |  0.32
Output  | 4.7067e-05 | 4.7067e-05 | 4.7067e-05 |   0.0 |  0.00
Modify  | 0.13378    | 0.13378    | 0.13378    |   0.0 |  1.10
Other   |            | 0.02045    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5160.00 ave        5160 max        5160 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311234.0 ave      311234 max      311234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311234
Ave neighs/atom = 155.61700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.837149737034, Press = -0.307293339504355
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  165000   -7122.4537   -7122.4537   -7202.2742   -7202.2742    308.91364    308.91364    23567.635    23567.635   -1102.6244   -1102.6244 
  166000   -7118.1327   -7118.1327   -7202.2783   -7202.2783    325.65247    325.65247    23531.915    23531.915    2380.7511    2380.7511 
Loop time of 12.2037 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.080 ns/day, 3.390 hours/ns, 81.943 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    | 12.011     | 12.011     | 12.011     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038468   | 0.038468   | 0.038468   |   0.0 |  0.32
Output  | 4.8942e-05 | 4.8942e-05 | 4.8942e-05 |   0.0 |  0.00
Modify  | 0.13381    | 0.13381    | 0.13381    |   0.0 |  1.10
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5145.00 ave        5145 max        5145 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310758.0 ave      310758 max      310758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310758
Ave neighs/atom = 155.37900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.830505289806, Press = 0.271029142186943
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  166000   -7118.1327   -7118.1327   -7202.2783   -7202.2783    325.65247    325.65247    23531.915    23531.915    2380.7511    2380.7511 
  167000   -7122.2668   -7122.2668   -7202.2167   -7202.2167    309.41423    309.41423     23567.58     23567.58   -897.90922   -897.90922 
Loop time of 12.2282 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.066 ns/day, 3.397 hours/ns, 81.778 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.035     | 12.035     | 12.035     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0385     | 0.0385     | 0.0385     |   0.0 |  0.31
Output  | 5.6235e-05 | 5.6235e-05 | 5.6235e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.09
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5157.00 ave        5157 max        5157 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311404.0 ave      311404 max      311404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311404
Ave neighs/atom = 155.70200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.833480135969, Press = 0.190173301556558
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  167000   -7122.2668   -7122.2668   -7202.2167   -7202.2167    309.41423    309.41423     23567.58     23567.58   -897.90922   -897.90922 
  168000    -7118.948    -7118.948   -7199.8467   -7199.8467    313.08631    313.08631    23575.151    23575.151   -1167.2185   -1167.2185 
Loop time of 12.2296 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.065 ns/day, 3.397 hours/ns, 81.769 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    | 12.037     | 12.037     | 12.037     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038621   | 0.038621   | 0.038621   |   0.0 |  0.32
Output  | 4.1906e-05 | 4.1906e-05 | 4.1906e-05 |   0.0 |  0.00
Modify  | 0.13379    | 0.13379    | 0.13379    |   0.0 |  1.09
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5152.00 ave        5152 max        5152 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310864.0 ave      310864 max      310864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310864
Ave neighs/atom = 155.43200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.837102646171, Press = 0.225050980420989
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  168000    -7118.948    -7118.948   -7199.8467   -7199.8467    313.08631    313.08631    23575.151    23575.151   -1167.2185   -1167.2185 
  169000   -7121.9594   -7121.9594   -7201.4929   -7201.4929    307.80269    307.80269    23592.664    23592.664   -1586.5434   -1586.5434 
Loop time of 12.214 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.873 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.021     | 12.021     | 12.021     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038446   | 0.038446   | 0.038446   |   0.0 |  0.31
Output  | 5.9004e-05 | 5.9004e-05 | 5.9004e-05 |   0.0 |  0.00
Modify  | 0.13381    | 0.13381    | 0.13381    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5148.00 ave        5148 max        5148 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310512.0 ave      310512 max      310512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310512
Ave neighs/atom = 155.25600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.838955944955, Press = -0.0531011521388957
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  169000   -7121.9594   -7121.9594   -7201.4929   -7201.4929    307.80269    307.80269    23592.664    23592.664   -1586.5434   -1586.5434 
  170000   -7116.8213   -7116.8213    -7199.704    -7199.704    320.76466    320.76466    23544.928    23544.928    1519.1567    1519.1567 
Loop time of 12.2096 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.903 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038382   | 0.038382   | 0.038382   |   0.0 |  0.31
Output  | 4.5793e-05 | 4.5793e-05 | 4.5793e-05 |   0.0 |  0.00
Modify  | 0.13376    | 0.13376    | 0.13376    |   0.0 |  1.10
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5137.00 ave        5137 max        5137 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310546.0 ave      310546 max      310546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310546
Ave neighs/atom = 155.27300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.844543157747, Press = -0.262060871446522
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  170000   -7116.8213   -7116.8213    -7199.704    -7199.704    320.76466    320.76466    23544.928    23544.928    1519.1567    1519.1567 
  171000    -7120.082    -7120.082   -7201.5432   -7201.5432     315.2634     315.2634    23586.296    23586.296   -1909.7916   -1909.7916 
Loop time of 12.1977 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.083 ns/day, 3.388 hours/ns, 81.983 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.005     | 12.005     | 12.005     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038762   | 0.038762   | 0.038762   |   0.0 |  0.32
Output  | 4.7647e-05 | 4.7647e-05 | 4.7647e-05 |   0.0 |  0.00
Modify  | 0.13377    | 0.13377    | 0.13377    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5170.00 ave        5170 max        5170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311170.0 ave      311170 max      311170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311170
Ave neighs/atom = 155.58500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.8513841995, Press = -0.239698729102401
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  171000    -7120.082    -7120.082   -7201.5432   -7201.5432     315.2634     315.2634    23586.296    23586.296   -1909.7916   -1909.7916 
  172000   -7121.2414   -7121.2414   -7201.3641   -7201.3641    310.08315    310.08315    23544.169    23544.169    1468.2853    1468.2853 
Loop time of 12.2125 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.883 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.019     | 12.019     | 12.019     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038885   | 0.038885   | 0.038885   |   0.0 |  0.32
Output  | 5.059e-05  | 5.059e-05  | 5.059e-05  |   0.0 |  0.00
Modify  | 0.1337     | 0.1337     | 0.1337     |   0.0 |  1.09
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5157.00 ave        5157 max        5157 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310460.0 ave      310460 max      310460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310460
Ave neighs/atom = 155.23000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.84064787845, Press = -0.182902035277397
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  172000   -7121.2414   -7121.2414   -7201.3641   -7201.3641    310.08315    310.08315    23544.169    23544.169    1468.2853    1468.2853 
  173000   -7120.5198   -7120.5198   -7200.5281   -7200.5281    309.64045    309.64045    23543.782    23543.782    991.69207    991.69207 
Loop time of 12.2225 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.069 ns/day, 3.395 hours/ns, 81.816 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.03      | 12.03      | 12.03      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038409   | 0.038409   | 0.038409   |   0.0 |  0.31
Output  | 4.861e-05  | 4.861e-05  | 4.861e-05  |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.09
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5143.00 ave        5143 max        5143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311056.0 ave      311056 max      311056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311056
Ave neighs/atom = 155.52800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.839145854664, Press = 0.0265824229564355
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  173000   -7120.5198   -7120.5198   -7200.5281   -7200.5281    309.64045    309.64045    23543.782    23543.782    991.69207    991.69207 
  174000   -7115.6153   -7115.6153   -7198.6917   -7198.6917    321.51409    321.51409    23582.458    23582.458    -1469.632    -1469.632 
Loop time of 12.2142 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.872 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.021     | 12.021     | 12.021     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038613   | 0.038613   | 0.038613   |   0.0 |  0.32
Output  | 5.8054e-05 | 5.8054e-05 | 5.8054e-05 |   0.0 |  0.00
Modify  | 0.13382    | 0.13382    | 0.13382    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5140.00 ave        5140 max        5140 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311234.0 ave      311234 max      311234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311234
Ave neighs/atom = 155.61700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.843695983473, Press = 0.176509877182594
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  174000   -7115.6153   -7115.6153   -7198.6917   -7198.6917    321.51409    321.51409    23582.458    23582.458    -1469.632    -1469.632 
  175000   -7119.3545   -7119.3545    -7199.974    -7199.974    312.00603    312.00603    23607.933    23607.933   -3265.3671   -3265.3671 
Loop time of 12.2007 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.082 ns/day, 3.389 hours/ns, 81.963 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.008     | 12.008     | 12.008     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038632   | 0.038632   | 0.038632   |   0.0 |  0.32
Output  | 4.4988e-05 | 4.4988e-05 | 4.4988e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310568.0 ave      310568 max      310568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310568
Ave neighs/atom = 155.28400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.864289341424, Press = -0.229765606165196
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  175000   -7119.3545   -7119.3545    -7199.974    -7199.974    312.00603    312.00603    23607.933    23607.933   -3265.3671   -3265.3671 
  176000   -7120.5131   -7120.5131   -7200.8255   -7200.8255    310.81719    310.81719    23563.971    23563.971     214.7094     214.7094 
Loop time of 12.1985 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.083 ns/day, 3.388 hours/ns, 81.977 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.005     | 12.005     | 12.005     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038605   | 0.038605   | 0.038605   |   0.0 |  0.32
Output  | 4.6558e-05 | 4.6558e-05 | 4.6558e-05 |   0.0 |  0.00
Modify  | 0.13378    | 0.13378    | 0.13378    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5162.00 ave        5162 max        5162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310226.0 ave      310226 max      310226 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310226
Ave neighs/atom = 155.11300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.859267697094, Press = -0.418204682442043
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  176000   -7120.5131   -7120.5131   -7200.8255   -7200.8255    310.81719    310.81719    23563.971    23563.971     214.7094     214.7094 
  177000   -7120.9124   -7120.9124   -7201.7803   -7201.7803     312.9675     312.9675    23550.031    23550.031    396.01839    396.01839 
Loop time of 12.2207 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.070 ns/day, 3.395 hours/ns, 81.828 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.028     | 12.028     | 12.028     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038473   | 0.038473   | 0.038473   |   0.0 |  0.31
Output  | 5.3202e-05 | 5.3202e-05 | 5.3202e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.09
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5151.00 ave        5151 max        5151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310872.0 ave      310872 max      310872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310872
Ave neighs/atom = 155.43600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.855329036819, Press = -0.338683615349029
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  177000   -7120.9124   -7120.9124   -7201.7803   -7201.7803     312.9675     312.9675    23550.031    23550.031    396.01839    396.01839 
  178000   -7117.0028   -7117.0028    -7202.274    -7202.274    330.00817    330.00817    23546.369    23546.369    1475.3202    1475.3202 
Loop time of 12.2165 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.393 hours/ns, 81.857 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.023     | 12.023     | 12.023     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038735   | 0.038735   | 0.038735   |   0.0 |  0.32
Output  | 4.1764e-05 | 4.1764e-05 | 4.1764e-05 |   0.0 |  0.00
Modify  | 0.13375    | 0.13375    | 0.13375    |   0.0 |  1.09
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311092.0 ave      311092 max      311092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311092
Ave neighs/atom = 155.54600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.855158464497, Press = 0.037234729478108
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  178000   -7117.0028   -7117.0028    -7202.274    -7202.274    330.00817    330.00817    23546.369    23546.369    1475.3202    1475.3202 
  179000     -7116.55     -7116.55     -7198.09     -7198.09    315.56843    315.56843    23540.583    23540.583    2223.1514    2223.1514 
Loop time of 12.2162 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.858 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.023     | 12.023     | 12.023     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038655   | 0.038655   | 0.038655   |   0.0 |  0.32
Output  | 6.2596e-05 | 6.2596e-05 | 6.2596e-05 |   0.0 |  0.00
Modify  | 0.13373    | 0.13373    | 0.13373    |   0.0 |  1.09
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5168.00 ave        5168 max        5168 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311316.0 ave      311316 max      311316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311316
Ave neighs/atom = 155.65800
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 = 312.86071722143, Press = 0.678225205271078
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  179000     -7116.55     -7116.55     -7198.09     -7198.09    315.56843    315.56843    23540.583    23540.583    2223.1514    2223.1514 
  180000   -7121.7096   -7121.7096   -7201.9328   -7201.9328    310.47227    310.47227    23602.961    23602.961    -3412.047    -3412.047 
Loop time of 12.2174 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.394 hours/ns, 81.851 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.024     | 12.024     | 12.024     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038623   | 0.038623   | 0.038623   |   0.0 |  0.32
Output  | 4.2519e-05 | 4.2519e-05 | 4.2519e-05 |   0.0 |  0.00
Modify  | 0.13379    | 0.13379    | 0.13379    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5148.00 ave        5148 max        5148 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311228.0 ave      311228 max      311228 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311228
Ave neighs/atom = 155.61400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.864157498708, Press = 0.115025864023435
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  180000   -7121.7096   -7121.7096   -7201.9328   -7201.9328    310.47227    310.47227    23602.961    23602.961    -3412.047    -3412.047 
  181000    -7117.984    -7117.984   -7199.1962   -7199.1962    314.29978    314.29978     23586.89     23586.89   -1275.2621   -1275.2621 
Loop time of 12.1983 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.083 ns/day, 3.388 hours/ns, 81.979 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    | 12.005     | 12.005     | 12.005     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038592   | 0.038592   | 0.038592   |   0.0 |  0.32
Output  | 4.6921e-05 | 4.6921e-05 | 4.6921e-05 |   0.0 |  0.00
Modify  | 0.13382    | 0.13382    | 0.13382    |   0.0 |  1.10
Other   |            | 0.02043    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5150.00 ave        5150 max        5150 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310466.0 ave      310466 max      310466 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310466
Ave neighs/atom = 155.23300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862988851135, Press = -0.165055003847529
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  181000    -7117.984    -7117.984   -7199.1962   -7199.1962    314.29978    314.29978     23586.89     23586.89   -1275.2621   -1275.2621 
  182000   -7119.7796   -7119.7796   -7200.6923   -7200.6923    313.14047    313.14047    23526.867    23526.867    2335.8186    2335.8186 
Loop time of 12.2151 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.866 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.022     | 12.022     | 12.022     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03863    | 0.03863    | 0.03863    |   0.0 |  0.32
Output  | 4.9782e-05 | 4.9782e-05 | 4.9782e-05 |   0.0 |  0.00
Modify  | 0.13371    | 0.13371    | 0.13371    |   0.0 |  1.09
Other   |            | 0.02044    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310668.0 ave      310668 max      310668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310668
Ave neighs/atom = 155.33400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.863101969618, Press = -0.684386181116343
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  182000   -7119.7796   -7119.7796   -7200.6923   -7200.6923    313.14047    313.14047    23526.867    23526.867    2335.8186    2335.8186 
  183000   -7116.5666   -7116.5666   -7199.7333   -7199.7333    321.86377    321.86377     23557.89     23557.89    1181.0356    1181.0356 
Loop time of 12.2205 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.070 ns/day, 3.395 hours/ns, 81.830 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.027     | 12.027     | 12.027     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038686   | 0.038686   | 0.038686   |   0.0 |  0.32
Output  | 4.1534e-05 | 4.1534e-05 | 4.1534e-05 |   0.0 |  0.00
Modify  | 0.13368    | 0.13368    | 0.13368    |   0.0 |  1.09
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5171.00 ave        5171 max        5171 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311340.0 ave      311340 max      311340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311340
Ave neighs/atom = 155.67000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.871290148114, Press = 0.0203884099538801
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  183000   -7116.5666   -7116.5666   -7199.7333   -7199.7333    321.86377    321.86377     23557.89     23557.89    1181.0356    1181.0356 
  184000   -7121.1803   -7121.1803   -7200.4308   -7200.4308    306.70752    306.70752    23564.669    23564.669   -403.40721   -403.40721 
Loop time of 12.216 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.860 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.023     | 12.023     | 12.023     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038655   | 0.038655   | 0.038655   |   0.0 |  0.32
Output  | 6.7809e-05 | 6.7809e-05 | 6.7809e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.09
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5162.00 ave        5162 max        5162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311072.0 ave      311072 max      311072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311072
Ave neighs/atom = 155.53600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.886907948935, Press = -0.0599815270890762
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  184000   -7121.1803   -7121.1803   -7200.4308   -7200.4308    306.70752    306.70752    23564.669    23564.669   -403.40721   -403.40721 
  185000   -7117.7462   -7117.7462   -7200.7028   -7200.7028    321.05048    321.05048    23593.264    23593.264   -2277.6582   -2277.6582 
Loop time of 12.2102 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.899 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038688   | 0.038688   | 0.038688   |   0.0 |  0.32
Output  | 4.1711e-05 | 4.1711e-05 | 4.1711e-05 |   0.0 |  0.00
Modify  | 0.13373    | 0.13373    | 0.13373    |   0.0 |  1.10
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5156.00 ave        5156 max        5156 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311212.0 ave      311212 max      311212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311212
Ave neighs/atom = 155.60600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88698527139, Press = 0.408006321097316
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  185000   -7117.7462   -7117.7462   -7200.7028   -7200.7028    321.05048    321.05048    23593.264    23593.264   -2277.6582   -2277.6582 
  186000    -7123.334    -7123.334   -7201.5653   -7201.5653    302.76322    302.76322     23554.85     23554.85   -48.154754   -48.154754 
Loop time of 12.1998 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.082 ns/day, 3.389 hours/ns, 81.969 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.007     | 12.007     | 12.007     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038711   | 0.038711   | 0.038711   |   0.0 |  0.32
Output  | 4.679e-05  | 4.679e-05  | 4.679e-05  |   0.0 |  0.00
Modify  | 0.13371    | 0.13371    | 0.13371    |   0.0 |  1.10
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5156.00 ave        5156 max        5156 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310578.0 ave      310578 max      310578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310578
Ave neighs/atom = 155.28900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.87188664276, Press = -0.322371762241735
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  186000    -7123.334    -7123.334   -7201.5653   -7201.5653    302.76322    302.76322     23554.85     23554.85   -48.154754   -48.154754 
  187000   -7116.6754   -7116.6754   -7197.2574   -7197.2574    311.86061    311.86061     23559.12     23559.12    1070.3932    1070.3932 
Loop time of 12.2117 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.889 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    | 12.018     | 12.018     | 12.018     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038898   | 0.038898   | 0.038898   |   0.0 |  0.32
Output  | 5.1647e-05 | 5.1647e-05 | 5.1647e-05 |   0.0 |  0.00
Modify  | 0.13375    | 0.13375    | 0.13375    |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5170.00 ave        5170 max        5170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310776.0 ave      310776 max      310776 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310776
Ave neighs/atom = 155.38800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.875577044843, Press = -0.227450486198721
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  187000   -7116.6754   -7116.6754   -7197.2574   -7197.2574    311.86061    311.86061     23559.12     23559.12    1070.3932    1070.3932 
  188000    -7120.583    -7120.583   -7201.6087   -7201.6087    313.57778    313.57778    23558.529    23558.529    406.18006    406.18006 
Loop time of 12.2244 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.068 ns/day, 3.396 hours/ns, 81.804 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.031     | 12.031     | 12.031     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038732   | 0.038732   | 0.038732   |   0.0 |  0.32
Output  | 4.288e-05  | 4.288e-05  | 4.288e-05  |   0.0 |  0.00
Modify  | 0.13375    | 0.13375    | 0.13375    |   0.0 |  1.09
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5160.00 ave        5160 max        5160 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311002.0 ave      311002 max      311002 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311002
Ave neighs/atom = 155.50100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.886502373397, Press = 0.0324305533283161
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  188000    -7120.583    -7120.583   -7201.6087   -7201.6087    313.57778    313.57778    23558.529    23558.529    406.18006    406.18006 
  189000   -7116.6417   -7116.6417   -7199.4384   -7199.4384    320.43185    320.43185    23567.224    23567.224   -166.87125   -166.87125 
Loop time of 12.2021 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.081 ns/day, 3.389 hours/ns, 81.953 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.009     | 12.009     | 12.009     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038555   | 0.038555   | 0.038555   |   0.0 |  0.32
Output  | 6.4176e-05 | 6.4176e-05 | 6.4176e-05 |   0.0 |  0.00
Modify  | 0.13389    | 0.13389    | 0.13389    |   0.0 |  1.10
Other   |            | 0.02046    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5127.00 ave        5127 max        5127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310932.0 ave      310932 max      310932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310932
Ave neighs/atom = 155.46600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.900174405443, Press = 0.305971225564188
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  189000   -7116.6417   -7116.6417   -7199.4384   -7199.4384    320.43185    320.43185    23567.224    23567.224   -166.87125   -166.87125 
  190000   -7120.1011   -7120.1011   -7200.2516   -7200.2516    310.19063    310.19063    23576.963    23576.963    -746.8212    -746.8212 
Loop time of 12.2067 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.922 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.014     | 12.014     | 12.014     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038591   | 0.038591   | 0.038591   |   0.0 |  0.32
Output  | 4.1948e-05 | 4.1948e-05 | 4.1948e-05 |   0.0 |  0.00
Modify  | 0.13376    | 0.13376    | 0.13376    |   0.0 |  1.10
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5168.00 ave        5168 max        5168 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310718.0 ave      310718 max      310718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310718
Ave neighs/atom = 155.35900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.904014758094, Press = -0.487748865019382
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  190000   -7120.1011   -7120.1011   -7200.2516   -7200.2516    310.19063    310.19063    23576.963    23576.963    -746.8212    -746.8212 
  191000   -7114.8504   -7114.8504   -7196.5607   -7196.5607    316.22725    316.22725     23558.27     23558.27    584.03835    584.03835 
Loop time of 12.2289 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.065 ns/day, 3.397 hours/ns, 81.774 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    | 12.036     | 12.036     | 12.036     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038466   | 0.038466   | 0.038466   |   0.0 |  0.31
Output  | 5.4206e-05 | 5.4206e-05 | 5.4206e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.09
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5143.00 ave        5143 max        5143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310870.0 ave      310870 max      310870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310870
Ave neighs/atom = 155.43500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.908973688333, Press = -0.0346161569511439
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  191000   -7114.8504   -7114.8504   -7196.5607   -7196.5607    316.22725    316.22725     23558.27     23558.27    584.03835    584.03835 
  192000   -7120.0419   -7120.0419   -7200.8014   -7200.8014     312.5477     312.5477      23531.7      23531.7    2509.4086    2509.4086 
Loop time of 12.2104 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.897 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.017     | 12.017     | 12.017     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038605   | 0.038605   | 0.038605   |   0.0 |  0.32
Output  | 5.1501e-05 | 5.1501e-05 | 5.1501e-05 |   0.0 |  0.00
Modify  | 0.13382    | 0.13382    | 0.13382    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5144.00 ave        5144 max        5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310910.0 ave      310910 max      310910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310910
Ave neighs/atom = 155.45500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.918714823851, Press = -0.570627141673558
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  192000   -7120.0419   -7120.0419   -7200.8014   -7200.8014     312.5477     312.5477      23531.7      23531.7    2509.4086    2509.4086 
  193000   -7115.1813   -7115.1813   -7198.2918   -7198.2918     321.6463     321.6463    23562.423    23562.423    710.73545    710.73545 
Loop time of 12.2057 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.929 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038532   | 0.038532   | 0.038532   |   0.0 |  0.32
Output  | 4.5056e-05 | 4.5056e-05 | 4.5056e-05 |   0.0 |  0.00
Modify  | 0.13365    | 0.13365    | 0.13365    |   0.0 |  1.10
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5173.00 ave        5173 max        5173 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311492.0 ave      311492 max      311492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311492
Ave neighs/atom = 155.74600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.935671346154, Press = -0.159903555221806
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  193000   -7115.1813   -7115.1813   -7198.2918   -7198.2918     321.6463     321.6463    23562.423    23562.423    710.73545    710.73545 
  194000   -7118.3848   -7118.3848   -7200.7821   -7200.7821    318.88618    318.88618    23550.259    23550.259    1597.9709    1597.9709 
Loop time of 12.2149 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.867 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.022     | 12.022     | 12.022     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038557   | 0.038557   | 0.038557   |   0.0 |  0.32
Output  | 6.2234e-05 | 6.2234e-05 | 6.2234e-05 |   0.0 |  0.00
Modify  | 0.13395    | 0.13395    | 0.13395    |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310660.0 ave      310660 max      310660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310660
Ave neighs/atom = 155.33000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.933473316791, Press = 0.208967006461763
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  194000   -7118.3848   -7118.3848   -7200.7821   -7200.7821    318.88618    318.88618    23550.259    23550.259    1597.9709    1597.9709 
  195000   -7123.4384   -7123.4384   -7200.4414   -7200.4414    298.00966    298.00966     23583.02     23583.02   -1736.8822   -1736.8822 
Loop time of 12.2082 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.912 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.015     | 12.015     | 12.015     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03867    | 0.03867    | 0.03867    |   0.0 |  0.32
Output  | 4.1777e-05 | 4.1777e-05 | 4.1777e-05 |   0.0 |  0.00
Modify  | 0.13373    | 0.13373    | 0.13373    |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5157.00 ave        5157 max        5157 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311212.0 ave      311212 max      311212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311212
Ave neighs/atom = 155.60600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.927607400981, Press = 0.550283145314248
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  195000   -7123.4384   -7123.4384   -7200.4414   -7200.4414    298.00966    298.00966     23583.02     23583.02   -1736.8822   -1736.8822 
  196000   -7120.0185   -7120.0185   -7199.1166   -7199.1166    306.11769    306.11769    23605.428    23605.428   -3251.8434   -3251.8434 
Loop time of 12.2094 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.904 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.016     | 12.016     | 12.016     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038693   | 0.038693   | 0.038693   |   0.0 |  0.32
Output  | 4.6391e-05 | 4.6391e-05 | 4.6391e-05 |   0.0 |  0.00
Modify  | 0.13378    | 0.13378    | 0.13378    |   0.0 |  1.10
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310748.0 ave      310748 max      310748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310748
Ave neighs/atom = 155.37400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.911138774317, Press = -0.381379133031677
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  196000   -7120.0185   -7120.0185   -7199.1166   -7199.1166    306.11769    306.11769    23605.428    23605.428   -3251.8434   -3251.8434 
  197000   -7121.2216   -7121.2216   -7201.7205   -7201.7205    311.53933    311.53933     23558.98     23558.98    164.69811    164.69811 
Loop time of 12.1905 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.088 ns/day, 3.386 hours/ns, 82.031 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.998     | 11.998     | 11.998     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038403   | 0.038403   | 0.038403   |   0.0 |  0.32
Output  | 5.0018e-05 | 5.0018e-05 | 5.0018e-05 |   0.0 |  0.00
Modify  | 0.13371    | 0.13371    | 0.13371    |   0.0 |  1.10
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5141.00 ave        5141 max        5141 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310232.0 ave      310232 max      310232 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310232
Ave neighs/atom = 155.11600
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 = 312.911914289644, Press = 0.278886086463116
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  197000   -7121.2216   -7121.2216   -7201.7205   -7201.7205    311.53933    311.53933     23558.98     23558.98    164.69811    164.69811 
  198000   -7120.0752   -7120.0752   -7200.8304   -7200.8304    312.53076    312.53076    23549.409    23549.409    1140.2956    1140.2956 
Loop time of 12.1938 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.086 ns/day, 3.387 hours/ns, 82.009 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.001     | 12.001     | 12.001     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038733   | 0.038733   | 0.038733   |   0.0 |  0.32
Output  | 5.1589e-05 | 5.1589e-05 | 5.1589e-05 |   0.0 |  0.00
Modify  | 0.13381    | 0.13381    | 0.13381    |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5161.00 ave        5161 max        5161 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310902.0 ave      310902 max      310902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310902
Ave neighs/atom = 155.45100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.896153681482, Press = -0.328159546721634
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  198000   -7120.0752   -7120.0752   -7200.8304   -7200.8304    312.53076    312.53076    23549.409    23549.409    1140.2956    1140.2956 
  199000   -7119.1033   -7119.1033   -7200.4012   -7200.4012    314.63111    314.63111    23589.176    23589.176   -1622.1927   -1622.1927 
Loop time of 12.2093 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.905 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.016     | 12.016     | 12.016     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038658   | 0.038658   | 0.038658   |   0.0 |  0.32
Output  | 7.1985e-05 | 7.1985e-05 | 7.1985e-05 |   0.0 |  0.00
Modify  | 0.13384    | 0.13384    | 0.13384    |   0.0 |  1.10
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5164.00 ave        5164 max        5164 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311140.0 ave      311140 max      311140 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311140
Ave neighs/atom = 155.57000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.900756478368, Press = 0.0821413777019788
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  199000   -7119.1033   -7119.1033   -7200.4012   -7200.4012    314.63111    314.63111    23589.176    23589.176   -1622.1927   -1622.1927 
  200000     -7119.86     -7119.86   -7200.8074   -7200.8074    313.27469    313.27469    23539.247    23539.247    1930.1695    1930.1695 
Loop time of 12.2154 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.864 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    | 12.023     | 12.023     | 12.023     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038633   | 0.038633   | 0.038633   |   0.0 |  0.32
Output  | 4.1914e-05 | 4.1914e-05 | 4.1914e-05 |   0.0 |  0.00
Modify  | 0.13368    | 0.13368    | 0.13368    |   0.0 |  1.09
Other   |            | 0.02053    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5146.00 ave        5146 max        5146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310564.0 ave      310564 max      310564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310564
Ave neighs/atom = 155.28200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.908136972024, Press = 0.0337464191121796
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  200000     -7119.86     -7119.86   -7200.8074   -7200.8074    313.27469    313.27469    23539.247    23539.247    1930.1695    1930.1695 
  201000    -7118.042    -7118.042   -7200.2639   -7200.2639     318.2072     318.2072    23580.313    23580.313    -1280.694    -1280.694 
Loop time of 12.2195 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.837 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.026     | 12.026     | 12.026     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038806   | 0.038806   | 0.038806   |   0.0 |  0.32
Output  | 5.3985e-05 | 5.3985e-05 | 5.3985e-05 |   0.0 |  0.00
Modify  | 0.13372    | 0.13372    | 0.13372    |   0.0 |  1.09
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311248.0 ave      311248 max      311248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311248
Ave neighs/atom = 155.62400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.912282774419, Press = 0.0903426068188107
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  201000    -7118.042    -7118.042   -7200.2639   -7200.2639     318.2072     318.2072    23580.313    23580.313    -1280.694    -1280.694 
  202000   -7119.4441   -7119.4441   -7199.5049   -7199.5049    309.84379    309.84379    23564.939    23564.939   -601.61956   -601.61956 
Loop time of 12.2118 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.888 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.019     | 12.019     | 12.019     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038637   | 0.038637   | 0.038637   |   0.0 |  0.32
Output  | 5.0229e-05 | 5.0229e-05 | 5.0229e-05 |   0.0 |  0.00
Modify  | 0.13374    | 0.13374    | 0.13374    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5157.00 ave        5157 max        5157 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310730.0 ave      310730 max      310730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310730
Ave neighs/atom = 155.36500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.911842623309, Press = -0.0273959511716159
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  202000   -7119.4441   -7119.4441   -7199.5049   -7199.5049    309.84379    309.84379    23564.939    23564.939   -601.61956   -601.61956 
  203000   -7117.7622   -7117.7622   -7199.2899   -7199.2899    315.52072    315.52072    23561.719    23561.719    716.86384    716.86384 
Loop time of 12.2055 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.930 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038582   | 0.038582   | 0.038582   |   0.0 |  0.32
Output  | 4.9658e-05 | 4.9658e-05 | 4.9658e-05 |   0.0 |  0.00
Modify  | 0.13377    | 0.13377    | 0.13377    |   0.0 |  1.10
Other   |            | 0.02052    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310910.0 ave      310910 max      310910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310910
Ave neighs/atom = 155.45500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.910907507434, Press = -0.145339545825039
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  203000   -7117.7622   -7117.7622   -7199.2899   -7199.2899    315.52072    315.52072    23561.719    23561.719    716.86384    716.86384 
  204000     -7121.12     -7121.12   -7201.4065   -7201.4065    310.71716    310.71716    23538.218    23538.218    1656.0674    1656.0674 
Loop time of 12.2193 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.071 ns/day, 3.394 hours/ns, 81.837 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.026     | 12.026     | 12.026     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038515   | 0.038515   | 0.038515   |   0.0 |  0.32
Output  | 7.3836e-05 | 7.3836e-05 | 7.3836e-05 |   0.0 |  0.00
Modify  | 0.13377    | 0.13377    | 0.13377    |   0.0 |  1.09
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5170.00 ave        5170 max        5170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310988.0 ave      310988 max      310988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310988
Ave neighs/atom = 155.49400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.913681644276, Press = -0.531825872658199
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  204000     -7121.12     -7121.12   -7201.4065   -7201.4065    310.71716    310.71716    23538.218    23538.218    1656.0674    1656.0674 
  205000   -7117.9987   -7117.9987   -7200.0749   -7200.0749     317.6435     317.6435     23560.06     23560.06    424.31609    424.31609 
Loop time of 12.2146 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.869 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.022     | 12.022     | 12.022     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038725   | 0.038725   | 0.038725   |   0.0 |  0.32
Output  | 4.3259e-05 | 4.3259e-05 | 4.3259e-05 |   0.0 |  0.00
Modify  | 0.13371    | 0.13371    | 0.13371    |   0.0 |  1.09
Other   |            | 0.02059    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310894.0 ave      310894 max      310894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310894
Ave neighs/atom = 155.44700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.912336610155, Press = 0.284209620274594
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  205000   -7117.9987   -7117.9987   -7200.0749   -7200.0749     317.6435     317.6435     23560.06     23560.06    424.31609    424.31609 
  206000   -7119.6272   -7119.6272   -7201.0197   -7201.0197    314.99745    314.99745    23549.666    23549.666    880.53081    880.53081 
Loop time of 12.2123 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.885 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.019     | 12.019     | 12.019     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038733   | 0.038733   | 0.038733   |   0.0 |  0.32
Output  | 6.2879e-05 | 6.2879e-05 | 6.2879e-05 |   0.0 |  0.00
Modify  | 0.13399    | 0.13399    | 0.13399    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5159.00 ave        5159 max        5159 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310868.0 ave      310868 max      310868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310868
Ave neighs/atom = 155.43400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.91452186266, Press = -0.0438330512751036
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  206000   -7119.6272   -7119.6272   -7201.0197   -7201.0197    314.99745    314.99745    23549.666    23549.666    880.53081    880.53081 
  207000   -7117.9881   -7117.9881   -7198.9851   -7198.9851    313.46687    313.46687    23565.945    23565.945    511.16113    511.16113 
Loop time of 12.2154 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.864 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    | 12.022     | 12.022     | 12.022     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038606   | 0.038606   | 0.038606   |   0.0 |  0.32
Output  | 4.3081e-05 | 4.3081e-05 | 4.3081e-05 |   0.0 |  0.00
Modify  | 0.13386    | 0.13386    | 0.13386    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5145.00 ave        5145 max        5145 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311036.0 ave      311036 max      311036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311036
Ave neighs/atom = 155.51800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.920032106559, Press = 0.00616231982220651
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  207000   -7117.9881   -7117.9881   -7198.9851   -7198.9851    313.46687    313.46687    23565.945    23565.945    511.16113    511.16113 
  208000   -7116.8901   -7116.8901   -7198.9787   -7198.9787    317.69148    317.69148     23566.81     23566.81   -578.98414   -578.98414 
Loop time of 12.2271 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.066 ns/day, 3.396 hours/ns, 81.786 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.034     | 12.034     | 12.034     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038498   | 0.038498   | 0.038498   |   0.0 |  0.31
Output  | 4.9377e-05 | 4.9377e-05 | 4.9377e-05 |   0.0 |  0.00
Modify  | 0.13379    | 0.13379    | 0.13379    |   0.0 |  1.09
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5136.00 ave        5136 max        5136 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310988.0 ave      310988 max      310988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310988
Ave neighs/atom = 155.49400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.922809143736, Press = -0.244572619018343
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  208000   -7116.8901   -7116.8901   -7198.9787   -7198.9787    317.69148    317.69148     23566.81     23566.81   -578.98414   -578.98414 
  209000   -7120.2487   -7120.2487   -7198.7921   -7198.7921    303.97087    303.97087    23584.842    23584.842   -1387.7395   -1387.7395 
Loop time of 12.2151 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.866 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.022     | 12.022     | 12.022     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038683   | 0.038683   | 0.038683   |   0.0 |  0.32
Output  | 7.1508e-05 | 7.1508e-05 | 7.1508e-05 |   0.0 |  0.00
Modify  | 0.13391    | 0.13391    | 0.13391    |   0.0 |  1.10
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5151.00 ave        5151 max        5151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310806.0 ave      310806 max      310806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310806
Ave neighs/atom = 155.40300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.917079976871, Press = 0.0370382894488772
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  209000   -7120.2487   -7120.2487   -7198.7921   -7198.7921    303.97087    303.97087    23584.842    23584.842   -1387.7395   -1387.7395 
  210000   -7123.0258   -7123.0258   -7202.7766   -7202.7766    308.64396    308.64396    23573.042    23573.042   -493.97815   -493.97815 
Loop time of 12.2039 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.080 ns/day, 3.390 hours/ns, 81.941 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.011     | 12.011     | 12.011     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038674   | 0.038674   | 0.038674   |   0.0 |  0.32
Output  | 4.1576e-05 | 4.1576e-05 | 4.1576e-05 |   0.0 |  0.00
Modify  | 0.13389    | 0.13389    | 0.13389    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5150.00 ave        5150 max        5150 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310342.0 ave      310342 max      310342 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310342
Ave neighs/atom = 155.17100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.910877199088, Press = 0.175640314814761
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  210000   -7123.0258   -7123.0258   -7202.7766   -7202.7766    308.64396    308.64396    23573.042    23573.042   -493.97815   -493.97815 
  211000   -7117.6339   -7117.6339   -7199.9592   -7199.9592     318.6073     318.6073    23575.798    23575.798   -1684.5788   -1684.5788 
Loop time of 12.2064 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.924 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038637   | 0.038637   | 0.038637   |   0.0 |  0.32
Output  | 4.8983e-05 | 4.8983e-05 | 4.8983e-05 |   0.0 |  0.00
Modify  | 0.1339     | 0.1339     | 0.1339     |   0.0 |  1.10
Other   |            | 0.02062    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5181.00 ave        5181 max        5181 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310636.0 ave      310636 max      310636 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310636
Ave neighs/atom = 155.31800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.901425683015, Press = 0.070372311768761
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  211000   -7117.6339   -7117.6339   -7199.9592   -7199.9592     318.6073     318.6073    23575.798    23575.798   -1684.5788   -1684.5788 
  212000   -7116.3757   -7116.3757   -7201.9296   -7201.9296    331.10236    331.10236    23617.233    23617.233    -3950.723    -3950.723 
Loop time of 12.2027 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.080 ns/day, 3.390 hours/ns, 81.949 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.01      | 12.01      | 12.01      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038435   | 0.038435   | 0.038435   |   0.0 |  0.31
Output  | 4.7897e-05 | 4.7897e-05 | 4.7897e-05 |   0.0 |  0.00
Modify  | 0.1338     | 0.1338     | 0.1338     |   0.0 |  1.10
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5136.00 ave        5136 max        5136 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310718.0 ave      310718 max      310718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310718
Ave neighs/atom = 155.35900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.905282890108, Press = -0.142705062726859
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  212000   -7116.3757   -7116.3757   -7201.9296   -7201.9296    331.10236    331.10236    23617.233    23617.233    -3950.723    -3950.723 
  213000     -7121.42     -7121.42   -7199.9009   -7199.9009     303.7295     303.7295    23576.096    23576.096    153.80637    153.80637 
Loop time of 12.208 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.914 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.015     | 12.015     | 12.015     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038584   | 0.038584   | 0.038584   |   0.0 |  0.32
Output  | 4.5946e-05 | 4.5946e-05 | 4.5946e-05 |   0.0 |  0.00
Modify  | 0.13395    | 0.13395    | 0.13395    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5147.00 ave        5147 max        5147 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310268.0 ave      310268 max      310268 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310268
Ave neighs/atom = 155.13400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.921396005912, Press = 0.0242124251887669
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  213000     -7121.42     -7121.42   -7199.9009   -7199.9009     303.7295     303.7295    23576.096    23576.096    153.80637    153.80637 
  214000   -7119.0162   -7119.0162    -7199.531    -7199.531    311.60034    311.60034    23545.159    23545.159     628.7009     628.7009 
Loop time of 12.202 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.081 ns/day, 3.389 hours/ns, 81.954 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.008     | 12.008     | 12.008     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038683   | 0.038683   | 0.038683   |   0.0 |  0.32
Output  | 5.7948e-05 | 5.7948e-05 | 5.7948e-05 |   0.0 |  0.00
Modify  | 0.13417    | 0.13417    | 0.13417    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5162.00 ave        5162 max        5162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310724.0 ave      310724 max      310724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310724
Ave neighs/atom = 155.36200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.924024900345, Press = -0.174105942568074
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  214000   -7119.0162   -7119.0162    -7199.531    -7199.531    311.60034    311.60034    23545.159    23545.159     628.7009     628.7009 
  215000   -7116.7044   -7116.7044   -7197.7876   -7197.7876    313.80049    313.80049    23566.341    23566.341   -14.418575   -14.418575 
Loop time of 12.2052 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.079 ns/day, 3.390 hours/ns, 81.932 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.012     | 12.012     | 12.012     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038414   | 0.038414   | 0.038414   |   0.0 |  0.31
Output  | 4.1974e-05 | 4.1974e-05 | 4.1974e-05 |   0.0 |  0.00
Modify  | 0.134      | 0.134      | 0.134      |   0.0 |  1.10
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5162.00 ave        5162 max        5162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311122.0 ave      311122 max      311122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311122
Ave neighs/atom = 155.56100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.924063786751, Press = 0.336854644192182
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  215000   -7116.7044   -7116.7044   -7197.7876   -7197.7876    313.80049    313.80049    23566.341    23566.341   -14.418575   -14.418575 
  216000   -7120.6784   -7120.6784   -7201.2206   -7201.2206    311.70664    311.70664    23575.347    23575.347   -151.10087   -151.10087 
Loop time of 12.213 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.074 ns/day, 3.393 hours/ns, 81.880 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.02      | 12.02      | 12.02      |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038579   | 0.038579   | 0.038579   |   0.0 |  0.32
Output  | 4.7229e-05 | 4.7229e-05 | 4.7229e-05 |   0.0 |  0.00
Modify  | 0.13404    | 0.13404    | 0.13404    |   0.0 |  1.10
Other   |            | 0.02051    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5164.00 ave        5164 max        5164 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310544.0 ave      310544 max      310544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310544
Ave neighs/atom = 155.27200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.935269790002, Press = 0.0374225039440046
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  216000   -7120.6784   -7120.6784   -7201.2206   -7201.2206    311.70664    311.70664    23575.347    23575.347   -151.10087   -151.10087 
  217000    -7118.546    -7118.546   -7199.9767   -7199.9767    315.14526    315.14526    23608.528    23608.528   -3273.3368   -3273.3368 
Loop time of 12.2068 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.922 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.014     | 12.014     | 12.014     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038702   | 0.038702   | 0.038702   |   0.0 |  0.32
Output  | 4.1842e-05 | 4.1842e-05 | 4.1842e-05 |   0.0 |  0.00
Modify  | 0.13399    | 0.13399    | 0.13399    |   0.0 |  1.10
Other   |            | 0.02044    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5169.00 ave        5169 max        5169 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310718.0 ave      310718 max      310718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310718
Ave neighs/atom = 155.35900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.939236741009, Press = -0.0497420517213778
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  217000    -7118.546    -7118.546   -7199.9767   -7199.9767    315.14526    315.14526    23608.528    23608.528   -3273.3368   -3273.3368 
  218000   -7119.5163   -7119.5163   -7200.4502   -7200.4502    313.22249    313.22249    23578.598    23578.598   -1001.5952   -1001.5952 
Loop time of 12.1936 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.086 ns/day, 3.387 hours/ns, 82.010 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    | 12         | 12         | 12         |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038688   | 0.038688   | 0.038688   |   0.0 |  0.32
Output  | 4.5479e-05 | 4.5479e-05 | 4.5479e-05 |   0.0 |  0.00
Modify  | 0.13395    | 0.13395    | 0.13395    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310564.0 ave      310564 max      310564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310564
Ave neighs/atom = 155.28200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.931991306248, Press = -0.354792293526003
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  218000   -7119.5163   -7119.5163   -7200.4502   -7200.4502    313.22249    313.22249    23578.598    23578.598   -1001.5952   -1001.5952 
  219000   -7123.5505   -7123.5505   -7204.8226   -7204.8226    314.53125    314.53125    23505.551    23505.551    4194.7885    4194.7885 
Loop time of 12.1959 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.084 ns/day, 3.388 hours/ns, 81.994 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.003     | 12.003     | 12.003     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03853    | 0.03853    | 0.03853    |   0.0 |  0.32
Output  | 4.3801e-05 | 4.3801e-05 | 4.3801e-05 |   0.0 |  0.00
Modify  | 0.13388    | 0.13388    | 0.13388    |   0.0 |  1.10
Other   |            | 0.02048    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5151.00 ave        5151 max        5151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310870.0 ave      310870 max      310870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310870
Ave neighs/atom = 155.43500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.930649964485, Press = -0.0246319130344788
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  219000   -7123.5505   -7123.5505   -7204.8226   -7204.8226    314.53125    314.53125    23505.551    23505.551    4194.7885    4194.7885 
  220000   -7119.2465   -7119.2465   -7199.2032   -7199.2032    309.44089    309.44089    23561.104    23561.104     82.16467     82.16467 
Loop time of 12.2068 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.922 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.014     | 12.014     | 12.014     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038722   | 0.038722   | 0.038722   |   0.0 |  0.32
Output  | 6.3713e-05 | 6.3713e-05 | 6.3713e-05 |   0.0 |  0.00
Modify  | 0.13392    | 0.13392    | 0.13392    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5193.00 ave        5193 max        5193 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311370.0 ave      311370 max      311370 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311370
Ave neighs/atom = 155.68500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.924862738559, Press = -0.223941608068193
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  220000   -7119.2465   -7119.2465   -7199.2032   -7199.2032    309.44089    309.44089    23561.104    23561.104     82.16467     82.16467 
  221000   -7123.0567   -7123.0567    -7202.265    -7202.265     306.5444     306.5444     23559.47     23559.47   -19.094661   -19.094661 
Loop time of 12.2079 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.077 ns/day, 3.391 hours/ns, 81.914 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.015     | 12.015     | 12.015     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0386     | 0.0386     | 0.0386     |   0.0 |  0.32
Output  | 4.6577e-05 | 4.6577e-05 | 4.6577e-05 |   0.0 |  0.00
Modify  | 0.13387    | 0.13387    | 0.13387    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5162.00 ave        5162 max        5162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310954.0 ave      310954 max      310954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310954
Ave neighs/atom = 155.47700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.911832009865, Press = 0.358494774502271
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  221000   -7123.0567   -7123.0567    -7202.265    -7202.265     306.5444     306.5444     23559.47     23559.47   -19.094661   -19.094661 
  222000   -7118.9097   -7118.9097   -7201.1514   -7201.1514    318.28376    318.28376    23566.275    23566.275   -301.67185   -301.67185 
Loop time of 12.2334 on 1 procs for 1000 steps with 2000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.038     | 12.038     | 12.038     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038772   | 0.038772   | 0.038772   |   0.0 |  0.32
Output  | 5.5196e-05 | 5.5196e-05 | 5.5196e-05 |   0.0 |  0.00
Modify  | 0.13584    | 0.13584    | 0.13584    |   0.0 |  1.11
Other   |            | 0.02106    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5137.00 ave        5137 max        5137 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310946.0 ave      310946 max      310946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310946
Ave neighs/atom = 155.47300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.911412765096, Press = -0.0908102840826938
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  222000   -7118.9097   -7118.9097   -7201.1514   -7201.1514    318.28376    318.28376    23566.275    23566.275   -301.67185   -301.67185 
  223000   -7122.9569   -7122.9569   -7203.8762   -7203.8762    313.16598    313.16598    23559.137    23559.137 -0.023979773 -0.023979773 
Loop time of 12.1967 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.084 ns/day, 3.388 hours/ns, 81.989 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    | 12.004     | 12.004     | 12.004     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038383   | 0.038383   | 0.038383   |   0.0 |  0.31
Output  | 5.9465e-05 | 5.9465e-05 | 5.9465e-05 |   0.0 |  0.00
Modify  | 0.13391    | 0.13391    | 0.13391    |   0.0 |  1.10
Other   |            | 0.0205     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5134.00 ave        5134 max        5134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310634.0 ave      310634 max      310634 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310634
Ave neighs/atom = 155.31700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.898952660399, Press = -0.0743132844079834
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  223000   -7122.9569   -7122.9569   -7203.8762   -7203.8762    313.16598    313.16598    23559.137    23559.137 -0.023979773 -0.023979773 
  224000   -7118.7836   -7118.7836   -7199.7839   -7199.7839     313.4796     313.4796    23583.515    23583.515   -1225.5757   -1225.5757 
Loop time of 12.2181 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.072 ns/day, 3.394 hours/ns, 81.846 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.025     | 12.025     | 12.025     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038456   | 0.038456   | 0.038456   |   0.0 |  0.31
Output  | 5.2798e-05 | 5.2798e-05 | 5.2798e-05 |   0.0 |  0.00
Modify  | 0.13392    | 0.13392    | 0.13392    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5148.00 ave        5148 max        5148 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310878.0 ave      310878 max      310878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310878
Ave neighs/atom = 155.43900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.90188701043, Press = -0.0680777314343641
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  224000   -7118.7836   -7118.7836   -7199.7839   -7199.7839     313.4796     313.4796    23583.515    23583.515   -1225.5757   -1225.5757 
  225000   -7118.5685   -7118.5685    -7199.607    -7199.607    313.62732    313.62732    23594.078    23594.078   -2189.6335   -2189.6335 
Loop time of 12.2155 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.863 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.023     | 12.023     | 12.023     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038427   | 0.038427   | 0.038427   |   0.0 |  0.31
Output  | 6.3359e-05 | 6.3359e-05 | 6.3359e-05 |   0.0 |  0.00
Modify  | 0.13401    | 0.13401    | 0.13401    |   0.0 |  1.10
Other   |            | 0.02049    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5151.00 ave        5151 max        5151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310574.0 ave      310574 max      310574 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310574
Ave neighs/atom = 155.28700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.908700440864, Press = -0.0902477525618621
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  225000   -7118.5685   -7118.5685    -7199.607    -7199.607    313.62732    313.62732    23594.078    23594.078   -2189.6335   -2189.6335 
  226000   -7121.2601   -7121.2601   -7200.3328   -7200.3328    306.01954    306.01954    23558.793    23558.793   -165.91982   -165.91982 
Loop time of 12.2018 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.081 ns/day, 3.389 hours/ns, 81.955 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.008     | 12.008     | 12.008     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038693   | 0.038693   | 0.038693   |   0.0 |  0.32
Output  | 5.1094e-05 | 5.1094e-05 | 5.1094e-05 |   0.0 |  0.00
Modify  | 0.13411    | 0.13411    | 0.13411    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5158.00 ave        5158 max        5158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310564.0 ave      310564 max      310564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310564
Ave neighs/atom = 155.28200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.921788830533, Press = -0.520021620659697
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  226000   -7121.2601   -7121.2601   -7200.3328   -7200.3328    306.01954    306.01954    23558.793    23558.793   -165.91982   -165.91982 
  227000   -7118.0042   -7118.0042   -7200.3273   -7200.3273    318.59871    318.59871    23528.805    23528.805    2815.1874    2815.1874 
Loop time of 12.2115 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.075 ns/day, 3.392 hours/ns, 81.890 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    | 12.018     | 12.018     | 12.018     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038453   | 0.038453   | 0.038453   |   0.0 |  0.31
Output  | 4.2189e-05 | 4.2189e-05 | 4.2189e-05 |   0.0 |  0.00
Modify  | 0.13396    | 0.13396    | 0.13396    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5153.00 ave        5153 max        5153 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310966.0 ave      310966 max      310966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310966
Ave neighs/atom = 155.48300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.917963987209, Press = -0.0651878120660231
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  227000   -7118.0042   -7118.0042   -7200.3273   -7200.3273    318.59871    318.59871    23528.805    23528.805    2815.1874    2815.1874 
  228000   -7122.3977   -7122.3977   -7204.4283   -7204.4283    317.46706    317.46706    23564.043    23564.043   -574.69674   -574.69674 
Loop time of 12.2198 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.070 ns/day, 3.394 hours/ns, 81.834 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.027     | 12.027     | 12.027     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038536   | 0.038536   | 0.038536   |   0.0 |  0.32
Output  | 4.5734e-05 | 4.5734e-05 | 4.5734e-05 |   0.0 |  0.00
Modify  | 0.13387    | 0.13387    | 0.13387    |   0.0 |  1.10
Other   |            | 0.02054    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5169.00 ave        5169 max        5169 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311174.0 ave      311174 max      311174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311174
Ave neighs/atom = 155.58700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.914272742258, Press = 0.150380625169751
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  228000   -7122.3977   -7122.3977   -7204.4283   -7204.4283    317.46706    317.46706    23564.043    23564.043   -574.69674   -574.69674 
  229000   -7120.0508   -7120.0508   -7201.3703   -7201.3703    314.71508    314.71508    23571.001    23571.001   -984.21671   -984.21671 
Loop time of 12.2105 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.076 ns/day, 3.392 hours/ns, 81.897 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.018     | 12.018     | 12.018     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038473   | 0.038473   | 0.038473   |   0.0 |  0.32
Output  | 5.4301e-05 | 5.4301e-05 | 5.4301e-05 |   0.0 |  0.00
Modify  | 0.13389    | 0.13389    | 0.13389    |   0.0 |  1.10
Other   |            | 0.02047    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5149.00 ave        5149 max        5149 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310846.0 ave      310846 max      310846 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310846
Ave neighs/atom = 155.42300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.913669029617, Press = 0.0612323224269226
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  229000   -7120.0508   -7120.0508   -7201.3703   -7201.3703    314.71508    314.71508    23571.001    23571.001   -984.21671   -984.21671 
  230000   -7117.6836   -7117.6836   -7199.9639   -7199.9639    318.43309    318.43309    23589.587    23589.587   -2097.6193   -2097.6193 
Loop time of 12.1935 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.086 ns/day, 3.387 hours/ns, 82.011 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12         | 12         | 12         |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038621   | 0.038621   | 0.038621   |   0.0 |  0.32
Output  | 4.59e-05   | 4.59e-05   | 4.59e-05   |   0.0 |  0.00
Modify  | 0.13396    | 0.13396    | 0.13396    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310806.0 ave      310806 max      310806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310806
Ave neighs/atom = 155.40300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.923916656069, Press = -0.250175456566781
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  230000   -7117.6836   -7117.6836   -7199.9639   -7199.9639    318.43309    318.43309    23589.587    23589.587   -2097.6193   -2097.6193 
  231000   -7119.2887   -7119.2887   -7202.0706   -7202.0706    320.37431    320.37431    23579.704    23579.704   -1238.2114   -1238.2114 
Loop time of 12.1933 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.086 ns/day, 3.387 hours/ns, 82.012 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12         | 12         | 12         |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0386     | 0.0386     | 0.0386     |   0.0 |  0.32
Output  | 5.06e-05   | 5.06e-05   | 5.06e-05   |   0.0 |  0.00
Modify  | 0.13399    | 0.13399    | 0.13399    |   0.0 |  1.10
Other   |            | 0.02057    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5166.00 ave        5166 max        5166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310560.0 ave      310560 max      310560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310560
Ave neighs/atom = 155.28000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.928821203723, Press = -0.121116388860655
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  231000   -7119.2887   -7119.2887   -7202.0706   -7202.0706    320.37431    320.37431    23579.704    23579.704   -1238.2114   -1238.2114 
  232000   -7119.1346   -7119.1346   -7199.5227   -7199.5227    311.11029    311.11029    23543.735    23543.735    2150.8391    2150.8391 
Loop time of 12.2066 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.078 ns/day, 3.391 hours/ns, 81.923 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.013     | 12.013     | 12.013     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038733   | 0.038733   | 0.038733   |   0.0 |  0.32
Output  | 4.221e-05  | 4.221e-05  | 4.221e-05  |   0.0 |  0.00
Modify  | 0.13396    | 0.13396    | 0.13396    |   0.0 |  1.10
Other   |            | 0.02063    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5163.00 ave        5163 max        5163 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310688.0 ave      310688 max      310688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310688
Ave neighs/atom = 155.34400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.940302012243, Press = -0.23718114309762
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  232000   -7119.1346   -7119.1346   -7199.5227   -7199.5227    311.11029    311.11029    23543.735    23543.735    2150.8391    2150.8391 
  233000   -7114.5601   -7114.5601   -7198.3754   -7198.3754    324.37376    324.37376    23555.379    23555.379      1305.26      1305.26 
Loop time of 12.2153 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.073 ns/day, 3.393 hours/ns, 81.864 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    | 12.022     | 12.022     | 12.022     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038734   | 0.038734   | 0.038734   |   0.0 |  0.32
Output  | 5.5027e-05 | 5.5027e-05 | 5.5027e-05 |   0.0 |  0.00
Modify  | 0.13402    | 0.13402    | 0.13402    |   0.0 |  1.10
Other   |            | 0.02055    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5162.00 ave        5162 max        5162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      311222.0 ave      311222 max      311222 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 311222
Ave neighs/atom = 155.61100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.948081983242, Press = 0.13800688984925
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.575 | 4.575 | 4.575 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  233000   -7114.5601   -7114.5601   -7198.3754   -7198.3754    324.37376    324.37376    23555.379    23555.379      1305.26      1305.26 
  234000   -7119.9252   -7119.9252   -7202.2209   -7202.2209    318.49276    318.49276    23561.369    23561.369   -325.46534   -325.46534 
Loop time of 12.1993 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.082 ns/day, 3.389 hours/ns, 81.972 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.006     | 12.006     | 12.006     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038672   | 0.038672   | 0.038672   |   0.0 |  0.32
Output  | 5.6756e-05 | 5.6756e-05 | 5.6756e-05 |   0.0 |  0.00
Modify  | 0.13395    | 0.13395    | 0.13395    |   0.0 |  1.10
Other   |            | 0.02056    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5153.00 ave        5153 max        5153 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      310966.0 ave      310966 max      310966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 310966
Ave neighs/atom = 155.48300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
23563.9987197708

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0